On the public citation graph
Prediction of allosteric sites and mediating interactions through bond-to-bond propensities
0 signed · 201 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/bip.360251106openalex-snapshot
The dielectric constant of a folded protein
inferredcites →https://doi.org/10.1002/jcc.21287openalex-snapshot
CHARMM: The biomolecular simulation program
inferredcites →https://doi.org/10.1002/mrd.1080420419openalex-snapshot
Ras‐related proteins in signal transduction and growth control
inferredcites →https://doi.org/10.1002/pro.5560060622openalex-snapshot
Automated design of the surface positions of protein helices
inferredcites →https://doi.org/10.1002/prot.1081openalex-snapshot
Protein flexibility predictions using graph theory
inferredcites →https://doi.org/10.1002/prot.20232openalex-snapshot
Is allostery an intrinsic property of all dynamic proteins?
inferredcites →https://doi.org/10.1002/prot.21800openalex-snapshot
Contact rearrangements form coupled networks from local motions in allosteric proteins
inferredcites →https://doi.org/10.1002/sim.2271openalex-snapshot
Quantile regression methods for reference growth charts
inferredcites →https://doi.org/10.1006/jmbi.1995.0159openalex-snapshot
SCOP: A structural classification of proteins database for the investigation of sequences and structures
inferredcites →https://doi.org/10.1006/jmbi.1996.0151openalex-snapshot
The Three-dimensional Structure of Two Mutants of the Signal Transduction Protein CheY Suggest its Molecular Activation Mechanism
inferredcites →https://doi.org/10.1016/0300-9629(90)90139-jopenalex-snapshot
Mechanisms of cooperativity and allosteric regulation in proteins
inferredcites →https://doi.org/10.1016/j.abb.2013.07.025openalex-snapshot
Emerging computational approaches for the study of protein allostery
inferredcites →https://doi.org/10.1016/j.cell.2013.03.034openalex-snapshot
Allostery in Disease and in Drug Discovery
inferredcites →https://doi.org/10.1016/j.jmb.2004.10.055openalex-snapshot
Network Analysis of Protein Structures Identifies Functional Residues
inferredcites →https://doi.org/10.1016/j.jmb.2005.05.043openalex-snapshot
Intramolecular Signaling Pathways Revealed by Modeling Anisotropic Thermal Diffusion
inferredcites →https://doi.org/10.1016/j.jmb.2008.06.040openalex-snapshot
An Allosteric Circuit in Caspase-1
inferredcites →https://doi.org/10.1016/j.jmb.2013.04.029openalex-snapshot
Colocalization of Fast and Slow Timescale Dynamics in the Allosteric Signaling Protein CheY
inferredcites →https://doi.org/10.1016/j.sbi.2004.10.009openalex-snapshot
Searching for new allosteric sites in enzymes
inferredcites →https://doi.org/10.1016/j.str.2007.05.004openalex-snapshot
Hydrophobic Potential of Mean Force as a Solvation Function for Protein Structure Prediction
inferredcites →https://doi.org/10.1016/j.str.2009.06.008openalex-snapshot
The Origin of Allosteric Functional Modulation: Multiple Pre-existing Pathways
inferredcites →https://doi.org/10.1016/j.str.2012.05.008openalex-snapshot
Segmental Motions, Not a Two-State Concerted Switch, Underlie Allostery in CheY
inferredcites →https://doi.org/10.1016/s0021-9258(19)38623-5openalex-snapshot
Activation of the phosphosignaling protein CheY. II. Analysis of activated mutants by 19F NMR and protein engineering
inferredcites →https://doi.org/10.1016/s0022-2836(63)80091-1openalex-snapshot
Allosteric proteins and cellular control systems
inferredcites →https://doi.org/10.1016/s0022-2836(65)80285-6openalex-snapshot
On the nature of allosteric transitions: A plausible model
inferredcites →https://doi.org/10.1017/nws.2014.4openalex-snapshot
Structure of complex networks: Quantifying edge-to-edge relations by failure-induced flow redistribution
inferredcites →https://doi.org/10.1017/s0025727300019682openalex-snapshot
University of California, San Francisco
inferredcites →https://doi.org/10.1017/s0033583500003826openalex-snapshot
Mechanisms of cooperativity and allosteric regulation in proteins
inferredcites →https://doi.org/10.1017/s0033583510000119openalex-snapshot
Protein functional landscapes, dynamics, allostery: a tortuous path towards a universal theoretical framework
inferredcites →https://doi.org/10.1021/bi00865a047openalex-snapshot
Comparison of Experimental Binding Data and Theoretical Models in Proteins Containing Subunits *
inferredcites →https://doi.org/10.1021/ct400977ropenalex-snapshot
Determination of Signaling Pathways in Proteins through Network Theory: Importance of the Topology
inferredcites →https://doi.org/10.1021/j100389a010openalex-snapshot
DREIDING: a generic force field for molecular simulations
inferredcites →https://doi.org/10.1021/ja00214a001openalex-snapshot
The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin
inferredcites →https://doi.org/10.1021/jp509906mopenalex-snapshot
Energy Propagation and Network Energetic Coupling in Proteins
inferredcites →https://doi.org/10.1021/jp902013sopenalex-snapshot
Energy Flow and Long-Range Correlations in Guanine-Binding Riboswitch: A Nonequilibrium Molecular Dynamics Study
inferredcites →https://doi.org/10.1021/jz200830gopenalex-snapshot
Mapping the Intramolecular Vibrational Energy Flow in Proteins Reveals Functionally Important Residues
inferredcites →https://doi.org/10.1021/jz501882hopenalex-snapshot
Observing Vibrational Energy Flow in a Protein with the Spatial Resolution of a Single Amino Acid Residue
inferredcites →https://doi.org/10.1038/msb4100063openalex-snapshot
Residues crucial for maintaining short paths in network communication mediate signaling in proteins
inferredcites →https://doi.org/10.1038/nature06522openalex-snapshot
Dynamic personalities of proteins
inferredcites →https://doi.org/10.1038/ncomms4100openalex-snapshot
Anisotropic energy flow and allosteric ligand binding in albumin
inferredcites →https://doi.org/10.1039/c3cp54760dopenalex-snapshot
A donor–acceptor pair for the real time study of vibrational energy transfer in proteins
inferredcites →https://doi.org/10.1039/c4mb00088aopenalex-snapshot
Uncovering allosteric pathways in caspase-1 using Markov transient analysis and multiscale community detection
inferredcites →https://doi.org/10.1046/j.1461-0248.2002.00283.xopenalex-snapshot
Variation in nuclear DNA content across environmental gradients: a quantile regression analysis
inferredcites →https://doi.org/10.1063/1.3623423openalex-snapshot
Communication maps computed for homodimeric hemoglobin: Computational study of water-mediated energy transport in proteins
inferredcites →https://doi.org/10.1073/pnas.0704459104openalex-snapshot
A study of communication pathways in methionyl- tRNA synthetase by molecular dynamics simulations and structure network analysis
inferredcites →https://doi.org/10.1073/pnas.0810961106openalex-snapshot
Dynamical networks in tRNA:protein complexes
inferredcites →https://doi.org/10.1073/pnas.0912226107openalex-snapshot
Allosteric modulation of Ras positions Q61 for a direct role in catalysis
inferredcites →https://doi.org/10.1073/pnas.1002018107openalex-snapshot
Anomalies in the vibrational dynamics of proteins are a consequence of fractal-like structure
inferredcites →https://doi.org/10.1073/pnas.1116274109openalex-snapshot
Structure-based model of allostery predicts coupling between distant sites
inferredcites →https://doi.org/10.1073/pnas.1306323110openalex-snapshot
Kinetic response of a photoperturbed allosteric protein
inferredcites →https://doi.org/10.1074/jbc.m101002200openalex-snapshot
Crystal Structure of Activated CheY
inferredcites →https://doi.org/10.1080/01621459.1979.10481634openalex-snapshot
Influential Observations in Linear Regression
inferredcites →https://doi.org/10.1088/1478-3975/8/5/055010openalex-snapshot
Protein multi-scale organization through graph partitioning and robustness analysis: application to the myosin–myosin light chain interaction
inferredcites →https://doi.org/10.1093/nar/28.1.257openalex-snapshot
SCOP: a Structural Classification of Proteins database
inferredcites →https://doi.org/10.1093/nar/gkl084openalex-snapshot
o GNM: online computation of structural dynamics using the Gaussian Network Model
inferredcites →https://doi.org/10.1093/nar/gkt284openalex-snapshot
MCPath: Monte Carlo path generation approach to predict likely allosteric pathways and functional residues
inferredcites →https://doi.org/10.1103/physrevlett.75.4051openalex-snapshot
Generic Rigidity Percolation: The Pebble Game
inferredcites →https://doi.org/10.1103/revmodphys.66.381openalex-snapshot
Dynamical properties of fractal networks: Scaling, numerical simulations, and physical realizations
inferredcites →https://doi.org/10.1107/s0907444904011679openalex-snapshot
PRODRG: a tool for high-throughput crystallography of protein–ligand complexes
inferredcites →https://doi.org/10.1109/focs.2011.85openalex-snapshot
A Nearly-m log n Time Solver for SDD Linear Systems
inferredcites →https://doi.org/10.1111/1467-9884.00363openalex-snapshot
Quantile regression: applications and current research areas
inferredcites →https://doi.org/10.1126/science.1749933openalex-snapshot
The Energy Landscapes and Motions of Proteins
inferredcites →https://doi.org/10.1126/science.286.5438.295openalex-snapshot
Evolutionarily Conserved Pathways of Energetic Connectivity in Protein Families
inferredcites →https://doi.org/10.1126/science.291.5512.2429openalex-snapshot
Two-State Allosteric Behavior in a Single-Domain Signaling Protein
inferredcites →https://doi.org/10.1128/jb.00637-06openalex-snapshot
Switched or Not?: the Structure of Unphosphorylated CheY Bound to the N Terminus of FliM
inferredcites →https://doi.org/10.1128/jb.178.14.4208-4215.1996openalex-snapshot
Tyrosine 106 of CheY plays an important role in chemotaxis signal transduction in Escherichia coli
inferredcites →https://doi.org/10.1128/jb.185.21.6385-6391.2003openalex-snapshot
Investigation of the Role of Electrostatic Charge in Activation of the Escherichia coli Response Regulator CheY
inferredcites →https://doi.org/10.1145/1007352openalex-snapshot
Proceedings of the thirty-sixth annual ACM symposium on Theory of computing
inferredcites →https://doi.org/10.1145/1007352.1007372openalex-snapshot
Nearly-linear time algorithms for graph partitioning, graph sparsification, and solving linear systems
inferredcites →https://doi.org/10.1145/2488608openalex-snapshot
Proceedings of the forty-fifth annual ACM symposium on Theory of Computing
inferredcites →https://doi.org/10.1145/2488608.2488724openalex-snapshot
A simple, combinatorial algorithm for solving SDD systems in nearly-linear time
inferredcites →https://doi.org/10.1146/annurev-biophys-050511-102319openalex-snapshot
Structural and Energetic Basis of Allostery
inferredcites →https://doi.org/10.1146/annurev.physchem.59.032607.093606openalex-snapshot
Energy Flow in Proteins
inferredcites →https://doi.org/10.1186/1471-2105-13-273openalex-snapshot
Exploiting protein flexibility to predict the location of allosteric sites
inferredcites →https://doi.org/10.1186/gb-2007-8-5-r92openalex-snapshot
Modular architecture of protein structures and allosteric communications: potential implications for signaling proteins and regulatory linkages
inferredcites →https://doi.org/10.1201/9780429246593openalex-snapshot
An Introduction to the Bootstrap
inferredcites →https://doi.org/10.1371/journal.pcbi.0030172openalex-snapshot
Signal Propagation in Proteins and Relation to Equilibrium Fluctuations
inferredcites →https://doi.org/10.1371/journal.pcbi.1000293openalex-snapshot
Allosteric Communication Occurs via Networks of Tertiary and Quaternary Motions in Proteins
inferredcites →https://doi.org/10.1371/journal.pcbi.1000531openalex-snapshot
Structure-Based Predictive Models for Allosteric Hot Spots
inferredcites →https://doi.org/10.1371/journal.pcbi.1002154openalex-snapshot
Change in Allosteric Network Affects Binding Affinities of PDZ Domains: Analysis through Perturbation Response Scanning
inferredcites →https://doi.org/10.1371/journal.pone.0025711openalex-snapshot
Novel Allosteric Sites on Ras for Lead Generation
inferredcites →https://doi.org/10.1529/biophysj.104.051508openalex-snapshot
The Role of Stochastic and Modal Gating of Cardiac L-Type Ca2+ Channels on Early After-Depolarizations
inferredcites →https://doi.org/10.2307/2951618openalex-snapshot
Changes in the U.S. Wage Structure 1963-1987: Application of Quantile Regression
inferredcites →https://doi.org/10.25560/29861openalex-snapshot
All-scale structural analysis of biomolecules through dynamical graph partitioning
inferredcites →https://doi.org/10.32614/cran.package.quantregopenalex-snapshot
quantreg: Quantile Regression
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/1873-3468.70277openalex-snapshot
Structural instability impairs function of the UDP ‐xylose synthase 1 Ile181Asn variant associated with short‐stature genetic syndrome in humans
inferred← citeshttps://doi.org/10.1002/9780470027318.a9614openalex-snapshot
Methods Applied for the Allosteric Site Revelation
inferred← citeshttps://doi.org/10.1002/9781119518068.ch2openalex-snapshot
MAPPING ENERGY TRANSPORT NETWORKS IN PROTEINS
inferred← citeshttps://doi.org/10.1002/9783527806836.ch6openalex-snapshot
Understanding the Structure and Dynamics of Peptides and Proteins Through the Lens of Network Science
inferred← citeshttps://doi.org/10.1002/ange.201812995openalex-snapshot
Ortsaufgelöste Beobachtung von Schwingungsenergietransfer durch ein genetisch codiertes ultraschnelles Heizelement
inferred← citeshttps://doi.org/10.1002/ange.202513154openalex-snapshot
Single‐Molecule DNA Tweezers Enable Programmable Control of Enzyme Activity via Arbitrary Molecular Cues
inferred← citeshttps://doi.org/10.1002/anie.201812995openalex-snapshot
Site‐Resolved Observation of Vibrational Energy Transfer Using a Genetically Encoded Ultrafast Heater
inferred← citeshttps://doi.org/10.1002/anie.202513154openalex-snapshot
Single‐Molecule DNA Tweezers Enable Programmable Control of Enzyme Activity via Arbitrary Molecular Cues
inferred← citeshttps://doi.org/10.1002/pro.70080openalex-snapshot
A new view of missense mutations in α ‐mannosidosis using molecular dynamics conformational ensembles
inferred← citeshttps://doi.org/10.1002/prot.26415openalex-snapshot
Mutual information analysis of mutation, nonlinearity, and triple interactions in proteins
inferred← citeshttps://doi.org/10.1002/prot.26421openalex-snapshot
A new approach for extracting information from protein dynamics
inferred← citeshttps://doi.org/10.1002/wcms.1529openalex-snapshot
Rational design of allosteric modulators: Challenges and successes
inferred← citeshttps://doi.org/10.1002/wcms.1585openalex-snapshot
Along the allostery stream: Recent advances in computational methods for allosteric drug discovery
inferred← citeshttps://doi.org/10.1007/978-1-0716-1154-8_4openalex-snapshot
Locating and Navigating Energy Transport Networks in Proteins
inferred← citeshttps://doi.org/10.1007/978-1-0716-5408-8_7openalex-snapshot
Machine Learning Approaches for Interpretable Antibody Property Prediction Using Structural Data
inferred← citeshttps://doi.org/10.1007/978-981-13-8719-7_5openalex-snapshot
Correlation Between Allosteric and Orthosteric Sites
inferred← citeshttps://doi.org/10.1007/978-981-13-8719-7_7openalex-snapshot
Advances in the Computational Identification of Allosteric Sites and Pathways in Proteins
inferred← citeshttps://doi.org/10.1007/978-981-95-0695-8_31openalex-snapshot
AlloPED: Leveraging Protein Language Models and Structure Features for Allosteric Site Prediction
inferred← citeshttps://doi.org/10.1007/s10930-019-09822-xopenalex-snapshot
Why Proteins are Big: Length Scale Effects on Equilibria and Kinetics
inferred← citeshttps://doi.org/10.1016/bs.apcsb.2025.04.001openalex-snapshot
Molecular blueprints: Guiding drug discovery through protein structure analysis
inferred← citeshttps://doi.org/10.1016/j.bpj.2018.05.015openalex-snapshot
Principles for Optimal Cooperativity in Allosteric Materials
inferred← citeshttps://doi.org/10.1016/j.bpj.2019.10.002openalex-snapshot
Mechanics of Allostery: Contrasting the Induced Fit and Population Shift Scenarios
inferred← citeshttps://doi.org/10.1016/j.copbio.2019.01.017openalex-snapshot
Emerging technologies in protein interface engineering for biomedical applications
inferred← citeshttps://doi.org/10.1016/j.crstbi.2021.09.003openalex-snapshot
A hierarchy of coupling free energies underlie the thermodynamic and functional architecture of protein structures
inferred← citeshttps://doi.org/10.1016/j.csbj.2020.06.020openalex-snapshot
Essential site scanning analysis: A new approach for detecting sites that modulate the dispersion of protein global motions
inferred← citeshttps://doi.org/10.1016/j.drudis.2022.03.012openalex-snapshot
Computational elucidation of allosteric communication in proteins for allosteric drug design
inferred← citeshttps://doi.org/10.1016/j.drudis.2025.104466openalex-snapshot
Recent advances in computational strategies for allosteric site prediction: Machine learning, molecular dynamics, and network-based approaches
inferred← citeshttps://doi.org/10.1016/j.jmb.2022.167644openalex-snapshot
Subsets of Slow Dynamic Modes Reveal Global Information Sources as Allosteric Sites
inferred← citeshttps://doi.org/10.1016/j.jmb.2022.167748openalex-snapshot
Allosteric Hotspots in the Main Protease of SARS-CoV-2
inferred← citeshttps://doi.org/10.1016/j.jmb.2022.167749openalex-snapshot
Prediction of Protein Allosteric Signalling Pathways and Functional Residues Through Paths of Optimised Propensity
inferred← citeshttps://doi.org/10.1016/j.patter.2021.100408openalex-snapshot
Prediction of allosteric sites and signaling: Insights from benchmarking datasets
inferred← citeshttps://doi.org/10.1016/j.sbi.2017.10.002openalex-snapshot
Structure-based prediction of protein allostery
inferred← citeshttps://doi.org/10.1016/j.sbi.2018.09.004openalex-snapshot
Modulation of allosteric coupling by mutations: from protein dynamics and packing to altered native ensembles and function
inferred← citeshttps://doi.org/10.1016/j.sbi.2019.11.002openalex-snapshot
Intrinsic dynamics is evolutionarily optimized to enable allosteric behavior
inferred← citeshttps://doi.org/10.1016/j.sbi.2020.01.010openalex-snapshot
Allosteric drugs and mutations: chances, challenges, and necessity
inferred← citeshttps://doi.org/10.1016/j.sbi.2023.102737openalex-snapshot
Allosteric communication and signal transduction in proteins
inferred← citeshttps://doi.org/10.1016/j.str.2024.10.001openalex-snapshot
ANTIPASTI: Interpretable prediction of antibody binding affinity exploiting normal modes and deep learning
inferred← citeshttps://doi.org/10.1016/j.tips.2017.05.010openalex-snapshot
Applying Structure-Based Drug Design Approaches to Allosteric Modulators of GPCRs
inferred← citeshttps://doi.org/10.1021/acs.analchem.1c02144openalex-snapshot
Dynamic Cellular Cartography: Mapping the Local Determinants of Oligodendrocyte Transcription Factor 2 (OLIG2) Function in Live Cells Using Massively Parallel Fluorescence Correlation Spectroscopy Integrated with Fluorescence Lifetime Imaging Microscopy (mpFCS/FLIM)
inferred← citeshttps://doi.org/10.1021/acs.biochem.1c00420openalex-snapshot
Correlated Motions in Structural Biology
inferred← citeshttps://doi.org/10.1021/acs.biochem.5c00009openalex-snapshot
Impact of Cancer-Associated PKM2 Mutations on Enzyme Activity and Allosteric Regulation: Structural and Functional Insights into Metabolic Reprogramming
inferred← citeshttps://doi.org/10.1021/acs.chemrev.4c00969openalex-snapshot
Computer-Aided Drug Discovery for Undruggable Targets
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c01267openalex-snapshot
Uncovering the Dominant Motion Modes of Allosteric Regulation Improves Allosteric Site Prediction
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c00544openalex-snapshot
Prediction of Protein Allosteric Sites with Transfer Entropy and Spatial Neighbor-Based Evolutionary Information Learned by an Ensemble Model
inferred← citeshttps://doi.org/10.1021/acs.jcim.6c00141openalex-snapshot
ZHMolEReP: An Energy Response Strategy for Protein Allosteric Site Prediction
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01027openalex-snapshot
Simulated Epidemics in 3D Protein Structures to Detect Functional Properties
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.1c01695openalex-snapshot
Harnessing Reversed Allosteric Communication: A Novel Strategy for Allosteric Drug Discovery
inferred← citeshttps://doi.org/10.1021/acs.jpcb.0c11640openalex-snapshot
Engineering an Allosteric Control of Protein Function
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5c03281openalex-snapshot
Correlations among Hydrogen Bond Fluctuations in the Apo State Are Enough to Reveal Allosteric Networks in Proteins
inferred← citeshttps://doi.org/10.1021/acs.jpcb.9b07086openalex-snapshot
Energy Transport across Interfaces in Biomolecular Systems
inferred← citeshttps://doi.org/10.1021/acs.jpclett.1c01460openalex-snapshot
Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface
inferred← citeshttps://doi.org/10.1021/acs.jpclett.7b02021openalex-snapshot
A Universal Pattern in the Percolation and Dissipation of Protein Structural Perturbations
inferred← citeshttps://doi.org/10.1021/acs.langmuir.4c00246openalex-snapshot
Intermolecular Protein–Water Coupling Impedes the Coupling Between the Amide A and Amide I Mode in Interfacial Proteins
inferred← citeshttps://doi.org/10.1021/acsomega.3c04007openalex-snapshot
Complementary Pocket and Network-Based Approach to Search for Spike Protein Allosteric Pocket Sites
inferred← citeshttps://doi.org/10.1021/acsomega.5c01263openalex-snapshot
AlloBench: A Data Set Pipeline for the Development and Benchmarking of Allosteric Site Prediction Tools
inferred← citeshttps://doi.org/10.1038/s41467-020-17618-2openalex-snapshot
Mapping allosteric communications within individual proteins
inferred← citeshttps://doi.org/10.1038/s41467-022-30705-wopenalex-snapshot
Relative, local and global dimension in complex networks
inferred← citeshttps://doi.org/10.1038/s41540-018-0067-yopenalex-snapshot
Flux-dependent graphs for metabolic networks
inferred← citeshttps://doi.org/10.1038/s41598-018-27044-6openalex-snapshot
Insights into the mechanism of the PIK3CA E545K activating mutation using MD simulations
inferred← citeshttps://doi.org/10.1038/s41598-018-27992-zopenalex-snapshot
Allostery and cooperativity in multimeric proteins: bond-to-bond propensities in ATCase
inferred← citeshttps://doi.org/10.1039/d2sc06272kopenalex-snapshot
Combining structural and coevolution information to unveil allosteric sites
inferred← citeshttps://doi.org/10.1039/d5cc06159hopenalex-snapshot
Computational strategies for allosteric drug discovery: from cryptic pocket detection to rational design
inferred← citeshttps://doi.org/10.1063/5.0011392openalex-snapshot
Water-mediated biomolecular dynamics and allostery
inferred← citeshttps://doi.org/10.1063/5.0088522openalex-snapshot
Information flow and allosteric communication in proteins
inferred← citeshttps://doi.org/10.1063/5.0140882openalex-snapshot
KIF—Key Interactions Finder: A program to identify the key molecular interactions that regulate protein conformational changes
inferred← citeshttps://doi.org/10.1073/pnas.1615536114openalex-snapshot
Architecture and coevolution of allosteric materials
inferred← citeshttps://doi.org/10.1080/07391102.2018.1445032openalex-snapshot
Probing light chain mutation effects on thrombin via molecular dynamics simulations and machine learning
inferred← citeshttps://doi.org/10.1080/17460441.2024.2384467openalex-snapshot
The value of protein allostery in rational anticancer drug design: an update
inferred← citeshttps://doi.org/10.1088/1478-3975/ae1dc1openalex-snapshot
Extending the Gaussian network model: integrating local, allosteric, and structural factors for improved residue-residue correlation analysis
inferred← citeshttps://doi.org/10.1088/1478-3975/ae3e49openalex-snapshot
The Gaussian network model as a framework for allosteric analysis: dynamic distance, edge centrality, and entropy sensitivity in KRAS
inferred← citeshttps://doi.org/10.1088/2632-2153/abe6d6openalex-snapshot
PASSer: prediction of allosteric sites server
inferred← citeshttps://doi.org/10.1093/bioinformatics/btac380openalex-snapshot
Prediction of allosteric communication pathways in proteins
inferred← citeshttps://doi.org/10.1093/bioinformatics/btad275openalex-snapshot
Predicting allosteric pockets in protein biological assemblages
inferred← citeshttps://doi.org/10.1093/bioinformatics/bty1011openalex-snapshot
Insights on protein thermal stability: a graph representation of molecular interactions
inferred← citeshttps://doi.org/10.1093/comnet/cny014openalex-snapshot
Modular decomposition of protein structure using community detection
inferred← citeshttps://doi.org/10.1093/nar/gkab350openalex-snapshot
ProteinLens: a web-based application for the analysis of allosteric signalling on atomistic graphs of biomolecules
inferred← citeshttps://doi.org/10.1101/2020.01.27.920850openalex-snapshot
Dynamic Order in Allosteric Interactions
inferred← citeshttps://doi.org/10.1101/2021.08.16.456251openalex-snapshot
Prediction of allosteric sites and signalling: insights from benchmarking datasets
inferred← citeshttps://doi.org/10.1101/2022.04.11.487920openalex-snapshot
Hierarchical Computational Modeling and Dynamic Network Analysis of Allosteric Regulation in the SARS-CoV-2 Spike Omicron Trimer Structures: Omicron Mutations Cooperate to Allosterically Control Balance of Protein Stability and Conformational Adaptability
inferred← citeshttps://doi.org/10.1101/2022.09.05.506698openalex-snapshot
Atomistic Simulations and Network-Based Energetic Profiling of Binding and Allostery in the SARS-CoV-2 Spike Omicron BA.1, BA.1.1, BA.2 and BA.3 Subvariant Complexes with the Host Receptor: Revealing Hidden Functional Roles of the Binding Hotspots in Mediating Epistatic Effects and Long-Range…
inferred← citeshttps://doi.org/10.1101/2023.08.06.552196openalex-snapshot
A parametrized two-domain thermodynamic model explains diverse mutational effects on protein allostery
inferred← citeshttps://doi.org/10.1101/847426openalex-snapshot
Unsupervised Graph-Based Learning Predicts Mutations That Alter Protein Dynamics
inferred← citeshttps://doi.org/10.1103/physrevresearch.1.033211openalex-snapshot
Edge-based formulation of elastic network models
inferred← citeshttps://doi.org/10.1103/wv2k-676popenalex-snapshot
Allosteric Lever: Toward a Principle of Specific Allosteric Response
inferred← citeshttps://doi.org/10.1109/globalsip.2018.8646701openalex-snapshot
FLOW SMOOTHING AND DENOISING: GRAPH SIGNAL PROCESSING IN THE EDGE-SPACE
inferred← citeshttps://doi.org/10.1146/annurev-micro-020518-115931openalex-snapshot
Structural Basis of Response Regulator Function
inferred← citeshttps://doi.org/10.11594/jtls.10.01.03openalex-snapshot
Anti-Apoptotic Activity of Anthocyanins has Potential to inhibit Caspase-3 Signaling
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1006658openalex-snapshot
Review: Precision medicine and driver mutations: Computational methods, functional assays and conformational principles for interpreting cancer drivers
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-n085z-v2openalex-snapshot
A new view of missense mutations inα-mannosidosis using molecular dynamicsconformational ensembles
inferred← citeshttps://doi.org/10.33774/chemrxiv-2021-q4319openalex-snapshot
PASSer2.0: Accurate Prediction of Protein Allosteric Sites Through Automated Machine Learning
inferred← citeshttps://doi.org/10.33774/chemrxiv-2021-q4319-v2openalex-snapshot
PASSer2.0: Accurate Prediction of Protein Allosteric Sites Through Automated Machine Learning
inferred← citeshttps://doi.org/10.3389/fbinf.2025.1535482openalex-snapshot
Comprehensive structural and functional analyses of RAD50 nsSNPs: from prediction to impact assessment
inferred← citeshttps://doi.org/10.3389/fmolb.2022.879251openalex-snapshot
PASSer2.0: Accurate Prediction of Protein Allosteric Sites Through Automated Machine Learning
inferred← citeshttps://doi.org/10.3389/fphar.2022.939555openalex-snapshot
Simulation and Machine Learning Methods for Ion-Channel Structure Determination, Mechanistic Studies and Drug Design
inferred← citeshttps://doi.org/10.3390/app12178530openalex-snapshot
Information Transfer in Active States of Human β2-Adrenergic Receptor via Inter-Rotameric Motions of Loop Regions
inferred← citeshttps://doi.org/10.3390/ijms231911542openalex-snapshot
Probing Mechanisms of Binding and Allostery in the SARS-CoV-2 Spike Omicron Variant Complexes with the Host Receptor: Revealing Functional Roles of the Binding Hotspots in Mediating Epistatic Effects and Communication with Allosteric Pockets
inferred← citeshttps://doi.org/10.3390/life10050057openalex-snapshot
Targeting the C-Terminal Domain Small Phosphatase 1
inferred← citeshttps://doi.org/10.3906/biy-1802-77openalex-snapshot
Exploring allosteric communication in multiple states of the bacterial ribosome using residue network analysis
inferred← citeshttps://doi.org/10.48550/arxiv.1805.03715openalex-snapshot
Mapping energy transport networks in proteins
inferred← citeshttps://doi.org/10.53846/goediss-9569openalex-snapshot
A Minimal Approach to the Dynamic Regulation of Biomolecular Conformation
inferred← citeshttps://doi.org/10.64898/2026.02.03.703560openalex-snapshot
Deconvolving mutation effects on protein stability and function with disentangled protein language models
inferred← citeshttps://doi.org/10.70675/5588b049z7574z4563z8f93zeba117c9b64copenalex-snapshot
Analyse de systèmes complexes par dynamique moléculaire polarisable, vers une conception rationnelle de médicaments : des quadruplexes de Guanine au SARS-CoV-2
inferred← citeshttps://doi.org/10.70675/d0667c2cz9cd4z4283za82bzd632c430f26bopenalex-snapshot
Advancing Large-Scale Molecular Dynamics through Machine Learning
inferred← citeshttps://doi.org/10.7554/elife.79932openalex-snapshot
Deep mutational scanning and machine learning reveal structural and molecular rules governing allosteric hotspots in homologous proteins
inferred← citeshttps://doi.org/10.7554/elife.92262openalex-snapshot
A parameterized two-domain thermodynamic model explains diverse mutational effects on protein allostery
inferred← citeshttps://doi.org/10.7554/elife.92262.1openalex-snapshot
A parametrized two-domain thermodynamic model explains diverse mutational effects on protein allostery
inferred← citeshttps://doi.org/10.7554/elife.92262.1.sa0openalex-snapshot
Reviewer #3 (Public Review): A parametrized two-domain thermodynamic model explains diverse mutational effects on protein allostery
inferred← citeshttps://doi.org/10.7554/elife.92262.1.sa1openalex-snapshot
Reviewer #2 (Public Review): A parametrized two-domain thermodynamic model explains diverse mutational effects on protein allostery
inferred← citeshttps://doi.org/10.7554/elife.92262.1.sa2openalex-snapshot
Reviewer #1 (Public Review): A parametrized two-domain thermodynamic model explains diverse mutational effects on protein allostery
inferred← citeshttps://doi.org/10.7554/elife.92262.2openalex-snapshot
A parametrized two-domain thermodynamic model explains diverse mutational effects on protein allostery
inferred← citeshttps://doi.org/10.7554/elife.92262.3openalex-snapshot
A parameterized two-domain thermodynamic model explains diverse mutational effects on protein allostery
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.