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Dynamics of an Intrinsically Disordered Protein Reveal Metastable Conformations That Potentially Seed Aggregation
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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1096-987x(199709)18:12<1463::aid-jcc4>3.0.co;2-hopenalex-snapshot
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inferredcites →https://doi.org/10.1002/1097-0134(20010201)42:2<217::aid-prot90>3.0.co;2-nopenalex-snapshot
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inferredcites →https://doi.org/10.1002/anie.200906670openalex-snapshot
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inferredcites →https://doi.org/10.1006/jmbi.1999.2646openalex-snapshot
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inferredcites →https://doi.org/10.1006/jmbi.2001.4970openalex-snapshot
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inferredcites →https://doi.org/10.1021/jp037421yopenalex-snapshot
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inferredcites →https://doi.org/10.1073/pnas.0905466106openalex-snapshot
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inferredcites →https://doi.org/10.1210/er.2007-0037openalex-snapshot
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inferred← citeshttps://doi.org/10.2139/ssrn.4820084openalex-extracted
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inferred← citeshttps://doi.org/10.1002/advs.202509362openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/asia.202500283openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/bkcs.12338openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/prot.25677openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/slct.202003565openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/slct.202503387openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/wcms.1359openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-4939-6563-2_18openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/bs.apcsb.2019.08.010openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/bs.mie.2016.05.026openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/bs.pmbts.2021.06.003openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/bs.pmbts.2024.10.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.abb.2015.03.011openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.bbagen.2018.09.003openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.pbiomolbio.2016.09.008openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.virusres.2015.01.019openalex-snapshot
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inferred← citeshttps://doi.org/10.1017/s003358352300001xopenalex-snapshot
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Kinetic Models of Cyclosporin A in Polar and Apolar Environments Reveal Multiple Congruent Conformational States
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00589openalex-snapshot
Evaluation of the Coupled Two-Dimensional Main Chain Torsional Potential in Modeling Intrinsically Disordered Proteins
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00132openalex-snapshot
Computational and Experimental Evaluation of Designed β-Cap Hairpins Using Molecular Simulations and Kinetic Network Models
inferred← citeshttps://doi.org/10.1021/acs.jctc.0c00774openalex-snapshot
MSMPathfinder: Identification of Pathways in Markov State Models
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00318openalex-snapshot
An Efficient Path Classification Algorithm Based on Variational Autoencoder to Identify Metastable Path Channels for Complex Conformational Changes
inferred← citeshttps://doi.org/10.1021/acs.jctc.3c01211openalex-snapshot
Kinetic Ensemble of Tau Protein through the Markov State Model and Deep Learning Analysis
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01308openalex-snapshot
Structural Heterogeneity of Intermediate States Facilitates CRIPT Peptide Binding to the PDZ3 Domain: Insights from Molecular Dynamics and Markov State Model Analysis
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00503openalex-snapshot
Using Dimensionality Reduction to Systematically Expand Conformational Sampling of Intrinsically Disordered Peptides
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b11934openalex-snapshot
Heterogeneous Amyloid β-Sheet Polymorphs Identified on Hydrogen Bond Promoting Surfaces Using 2D SFG Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.jpcb.1c00221openalex-snapshot
Analyzing the Long Time-Scale Dynamics of Uremic Toxins Bound to Sudlow Site II in Human Serum Albumin
inferred← citeshttps://doi.org/10.1021/acs.jpcb.1c05820openalex-snapshot
Resolving Dynamics in the Ensemble: Finding Paths through Intermediate States and Disordered Protein Structures
inferred← citeshttps://doi.org/10.1021/acs.jpcb.3c02633openalex-snapshot
Molecular Insights into the Self-Assembly of a Full-Length hIAPP Trimer: β-Protofibril Formed by β-Hairpin Lateral or Longitudinal Association
inferred← citeshttps://doi.org/10.1021/acs.jpcb.3c04052openalex-snapshot
Delineating Structural Propensities of the 4E-BP2 Protein via Integrative Modeling and Clustering
inferred← citeshttps://doi.org/10.1021/acs.jpcb.4c07020openalex-snapshot
Intrinsically Disordered Proteins Can Behave as Different Polymers across Their Conformational Ensemble
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5b02582openalex-snapshot
Conformational Transition in Signal Transduction: Metastable States and Transition Pathways in the Activation of a Signaling Protein
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5b03092openalex-snapshot
Structural Ensemble of CD4 Cytoplasmic Tail (402–419) Reveals a Nearly Flat Free-Energy Landscape with Local α-Helical Order in Aqueous Solution
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5c05357openalex-snapshot
Transition State Conformations for IDPs: Application to Human Amylin (hIAPP)
inferred← citeshttps://doi.org/10.1021/acs.jpcb.6b00059openalex-snapshot
Advances in the Simulation of Protein Aggregation at the Atomistic Scale
inferred← citeshttps://doi.org/10.1021/acs.jpcb.6b07545openalex-snapshot
Assembly of Triblock Amphiphilic Peptides into One-Dimensional Aggregates and Network Formation
inferred← citeshttps://doi.org/10.1021/acs.jpcb.6b08685openalex-snapshot
Tautomeric Effect of Histidine on the Monomeric Structure of Amyloid β-Peptide(1–40)
inferred← citeshttps://doi.org/10.1021/acs.jpcb.8b08371openalex-snapshot
Intrinsically Disordered Landscapes for Human CD4 Receptor Peptide
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b11934openalex-snapshot
Heterogeneous Amyloid β-Sheet Polymorphs Identified on Hydrogen Bond Promoting Surfaces Using 2D SFG Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c01972openalex-snapshot
pH Induced Switch in the Conformational Ensemble of Intrinsically Disordered Protein Prothymosin-α and Its Implications for Amyloid Fibril Formation
inferred← citeshttps://doi.org/10.1021/acs.jpclett.4c01476openalex-snapshot
Wet Conformation of Prion-Like Domain and Intimate Correlation of Hydration and Conformational Fluctuations
inferred← citeshttps://doi.org/10.1021/acs.jpclett.7b00160openalex-snapshot
Kinetics-Controlled Amphiphile Self-Assembly Processes
inferred← citeshttps://doi.org/10.1021/acs.langmuir.9b03623openalex-snapshot
Acidic Environment Significantly Alters Aggregation Pathway of Human Islet Amyloid Polypeptide at Negative Lipid Membrane
inferred← citeshttps://doi.org/10.1021/acscatal.9b03782openalex-snapshot
Regulatory Role of One Critical Catalytic Loop of Polypeptide N-Acetyl-Galactosaminyltransferase-2 in Substrate Binding and Catalysis during Mucin-Type O-Glycosylation
inferred← citeshttps://doi.org/10.1021/acschembio.5b00146openalex-snapshot
Molecular Tweezers Inhibit Islet Amyloid Polypeptide Assembly and Toxicity by a New Mechanism
inferred← citeshttps://doi.org/10.1021/acschemneuro.0c00587openalex-snapshot
Intrinsic Origin of Tau Protein Aggregation: Effects of Histidine Tautomerism on Tau267–312 Monomer
inferred← citeshttps://doi.org/10.1021/acschemneuro.5c00357openalex-snapshot
Decoding the Relationship between Alzheimer’s Disease and Type-2 Diabetes via the Protein Aggregation Prism
inferred← citeshttps://doi.org/10.1021/acschemneuro.6b00357openalex-snapshot
Alzheimer’s Protective Cross-Interaction between Wild-Type and A2T Variants Alters Aβ42 Dimer Structure
inferred← citeshttps://doi.org/10.1021/acschemneuro.6c00371openalex-snapshot
Rosmarinic Acid Inhibits β-Sheet and β-Hairpin Formation in Human Islet Amyloid Polypeptide Dimers by Stabilizing Localized C-Terminal Motifs: An REMD Study
inferred← citeshttps://doi.org/10.1021/acschemneuro.8b00166openalex-snapshot
The Inhibitory Effect of Hydroxylated Carbon Nanotubes on the Aggregation of Human Islet Amyloid Polypeptide Revealed by a Combined Computational and Experimental Study
inferred← citeshttps://doi.org/10.1021/acschemneuro.9b00393openalex-snapshot
Molecular Dynamics Simulations Reveal the Inhibitory Mechanism of Dopamine against Human Islet Amyloid Polypeptide (hIAPP) Aggregation and Its Destabilization Effect on hIAPP Protofibrils
inferred← citeshttps://doi.org/10.1021/acschemneuro.9b00488openalex-snapshot
Disclosing the Mechanism of Spontaneous Aggregation and Template-Induced Misfolding of the Key Hexapeptide (PHF6) of Tau Protein Based on Molecular Dynamics Simulation
inferred← citeshttps://doi.org/10.1021/ar5002999openalex-snapshot
Markov State Models Provide Insights into Dynamic Modulation of Protein Function
inferred← citeshttps://doi.org/10.1021/cr500638nopenalex-snapshot
Amyloid β Protein and Alzheimer’s Disease: When Computer Simulations Complement Experimental Studies
inferred← citeshttps://doi.org/10.1021/ja504031dopenalex-snapshot
Defining the Molecular Basis of Amyloid Inhibitors: Human Islet Amyloid Polypeptide–Insulin Interactions
inferred← citeshttps://doi.org/10.1021/ja510614sopenalex-snapshot
Protein Dynamics in Simulation and Experiment
inferred← citeshttps://doi.org/10.1021/jacs.0c09343openalex-snapshot
Revealing Thermodynamics and Kinetics of Lipid Self-Assembly by Markov State Model Analysis
inferred← citeshttps://doi.org/10.1021/jacs.5c23300openalex-snapshot
Secondary Structure-Encoded Control of Lipid Assembly by Radially Amphiphilic Peptides
inferred← citeshttps://doi.org/10.1021/jacs.6b06433openalex-snapshot
Defining a Physical Basis for Diversity in Protein Self-Assemblies Using a Minimal Model
inferred← citeshttps://doi.org/10.1021/jacs.6c05891openalex-snapshot
Binding without Docking: Small-Molecule Binding Paths on Disordered Proteins
inferred← citeshttps://doi.org/10.1021/jacs.8b08537openalex-snapshot
Misfolding of a Human Islet Amyloid Polypeptide at the Lipid Membrane Populates through β-Sheet Conformers without Involving α-Helical Intermediates
inferred← citeshttps://doi.org/10.1021/jacs.9b04995openalex-snapshot
The Mitochondrial Peptide Humanin Targets but Does Not Denature Amyloid Oligomers in Type II Diabetes
inferred← citeshttps://doi.org/10.1021/jacsau.1c00254openalex-snapshot
Markov State Models to Study the Functional Dynamics of Proteins in the Wake of Machine Learning
inferred← citeshttps://doi.org/10.1021/jp4115404openalex-snapshot
Familial Alzheimer A2 V Mutation Reduces the Intrinsic Disorder and Completely Changes the Free Energy Landscape of the Aβ1–28 Monomer
inferred← citeshttps://doi.org/10.1021/jp5009785openalex-snapshot
Intrinsic Autocorrelation Time of Picoseconds for Thermal Noise in Water
inferred← citeshttps://doi.org/10.1021/jp502169bopenalex-snapshot
Computer Simulation Studies of Aβ 37–42 Aggregation Thermodynamics and Kinetics in Water and Salt Solution
inferred← citeshttps://doi.org/10.1021/jp5111357openalex-snapshot
Distinct Helix Propensities and Membrane Interactions of Human and Rat IAPP1–19 Monomers in Anionic Lipid Bilayers
inferred← citeshttps://doi.org/10.1021/jz5006847openalex-snapshot
Simulations of Protein Aggregation: Insights from Atomistic and Coarse-Grained Models
inferred← citeshttps://doi.org/10.1038/nchembio.1988openalex-snapshot
An in vivo platform for identifying inhibitors of protein aggregation
inferred← citeshttps://doi.org/10.1038/ncomms11244openalex-snapshot
Bridge helix bending promotes RNA polymerase II backtracking through a critical and conserved threonine residue
inferred← citeshttps://doi.org/10.1038/s41467-021-25267-2openalex-snapshot
Temperature-dependent kinetic pathways of heterogeneous ice nucleation competing between classical and non-classical nucleation
inferred← citeshttps://doi.org/10.1038/s41467-022-34603-zopenalex-snapshot
Deep learning to decompose macromolecules into independent Markovian domains
inferred← citeshttps://doi.org/10.1038/s41598-017-10212-5openalex-snapshot
Emergence of Alternative Structures in Amyloid Beta 1-42 Monomeric Landscape by N-terminal Hexapeptide Amyloid Inhibitors
inferred← citeshttps://doi.org/10.1038/s41598-020-69322-2openalex-snapshot
Characterization of partially ordered states in the intrinsically disordered N-terminal domain of p53 using millisecond molecular dynamics simulations
inferred← citeshttps://doi.org/10.1038/srep21614openalex-snapshot
Mechanism of Inhibition of Human Islet Amyloid Polypeptide-Induced Membrane Damage by a Small Organic Fluorogen
inferred← citeshttps://doi.org/10.1038/srep21804openalex-snapshot
Protective V127 prion variant prevents prion disease by interrupting the formation of dimer and fibril from molecular dynamics simulations
inferred← citeshttps://doi.org/10.1038/srep24065openalex-snapshot
Unfolding mechanism of thrombin-binding aptamer revealed by molecular dynamics simulation and Markov State Model
inferred← citeshttps://doi.org/10.1038/srep31631openalex-snapshot
Markov models of the apo-MDM2 lid region reveal diffuse yet two-state binding dynamics and receptor poses for computational docking
inferred← citeshttps://doi.org/10.1038/srep33076openalex-snapshot
Conformational Ensemble of hIAPP Dimer: Insight into the Molecular Mechanism by which a Green Tea Extract inhibits hIAPP Aggregation
inferred← citeshttps://doi.org/10.1039/c4cp04528aopenalex-snapshot
Understanding the conformation transition in the activation pathway of β2 adrenergic receptor via a targeted molecular dynamics simulation
inferred← citeshttps://doi.org/10.1039/c4cs00048jopenalex-snapshot
The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems
inferred← citeshttps://doi.org/10.1039/c4mb00546eopenalex-snapshot
Effects of the A117V mutation on the folding and aggregation of palindromic sequences (PrP113–120) in prion: insights from replica exchange molecular dynamics simulations
inferred← citeshttps://doi.org/10.1039/c5cp01858gopenalex-snapshot
The histone H3 N-terminal tail: a computational analysis of the free energy landscape and kinetics
inferred← citeshttps://doi.org/10.1039/c5cp03782dopenalex-snapshot
Appearance of annular ring-like intermediates during amyloid fibril formation from human serum albumin
inferred← citeshttps://doi.org/10.1039/c5sc03886copenalex-snapshot
Atomistic picture of conformational exchange in a T4 lysozyme cavity mutant: an experiment-guided molecular dynamics study
inferred← citeshttps://doi.org/10.1039/c5tx00045aopenalex-snapshot
Exocyclic DNA adducts in sheep with skeletal fluorosis resident in the proximity of the Portoscuso-Portovesme industrial estate on Sardinia Island, Italy
inferred← citeshttps://doi.org/10.1039/c6cp01808dopenalex-snapshot
Elucidating dominant pathways of the nano-particle self-assembly process
inferred← citeshttps://doi.org/10.1039/c6cp02545eopenalex-snapshot
Elucidation of the conformational dynamics of multi-body systems by construction of Markov state models
inferred← citeshttps://doi.org/10.1039/c6cp05041gopenalex-snapshot
Glycation induces conformational changes in the amyloid-β peptide and enhances its aggregation propensity: molecular insights
inferred← citeshttps://doi.org/10.1039/c6cp05590gopenalex-snapshot
Dynamics of the conformational transitions during the dimerization of an intrinsically disordered peptide: a case study on the human islet amyloid polypeptide fragment
inferred← citeshttps://doi.org/10.1039/c7cp01521fopenalex-snapshot
The folding mechanism and key metastable state identification of the PrP127–147 monomer studied by molecular dynamics simulations and Markov state model analysis
inferred← citeshttps://doi.org/10.1039/c7cp06181aopenalex-snapshot
Harnessing complexity in molecular self-assembly using computer simulations
inferred← citeshttps://doi.org/10.1039/c7cp06463bopenalex-snapshot
Structural and thermodynamical properties of early human amylin oligomers using replica exchange molecular dynamics: mutation effect of three key residues F15, H18 and F23
inferred← citeshttps://doi.org/10.1039/c8cp00522bopenalex-snapshot
Improving the productivity of monodisperse polyhedral cages by the rational design of kinetic self-assembly pathways
inferred← citeshttps://doi.org/10.1039/c8cp07501hopenalex-snapshot
Influence of fullerenol on hIAPP aggregation: amyloid inhibition and mechanistic aspects
inferred← citeshttps://doi.org/10.1039/c9cp00103dopenalex-snapshot
Is it possible for short peptide composed of positively- and negatively-charged “hydrophilic” amino acid residue-clusters to form metastable “hydrophobic” packing?
inferred← citeshttps://doi.org/10.1039/c9cp03151kopenalex-snapshot
Formation of α-helical and β-sheet structures in membrane-bound human IAPP monomer and the resulting membrane deformation
inferred← citeshttps://doi.org/10.1039/c9cp03763bopenalex-snapshot
A computational approach to get insights into multiple faces of additives in modulation of protein aggregation pathways
inferred← citeshttps://doi.org/10.1039/c9cp04613eopenalex-snapshot
Opening dynamics of HIV-1 gp120 upon receptor binding is dictated by a key hydrophobic core
inferred← citeshttps://doi.org/10.1039/c9cp06954bopenalex-snapshot
The misfolding mechanism of the key fragment R3 of tau protein: a combined molecular dynamics simulation and Markov state model study
inferred← citeshttps://doi.org/10.1039/c9sm00426bopenalex-snapshot
Conformationally directed assembly of peptides on 2D surfaces mediated by thermal stimuli
inferred← citeshttps://doi.org/10.1039/d1sc06825copenalex-snapshot
The importance of the compact disordered state in the fuzzy interactions between intrinsically disordered proteins
inferred← citeshttps://doi.org/10.1039/d2cp02168dopenalex-snapshot
Conformational fluctuations in the molten globule state of α-lactalbumin
inferred← citeshttps://doi.org/10.1039/d4cp02564dopenalex-snapshot
Statistical accuracy of molecular dynamics-based methods for sampling conformational ensembles of disordered proteins
inferred← citeshttps://doi.org/10.1039/d4nr01315hopenalex-snapshot
Graphitic nanoflakes modulate the structure and binding of human amylin
inferred← citeshttps://doi.org/10.1042/ebc20220054openalex-snapshot
Different states and the associated fates of biomolecular condensates
inferred← citeshttps://doi.org/10.1063/1.4905586openalex-snapshot
Aspects of structural landscape of human islet amyloid polypeptide
inferred← citeshttps://doi.org/10.1063/1.4936910openalex-snapshot
Transient β -hairpin formation in α -synuclein monomer revealed by coarse-grained molecular dynamics simulation
inferred← citeshttps://doi.org/10.1063/1.4965440openalex-snapshot
Density-based cluster algorithms for the identification of core sets
inferred← citeshttps://doi.org/10.1063/1.4983222openalex-snapshot
Preferential binding effects on protein structure and dynamics revealed by coarse-grained Monte Carlo simulation
inferred← citeshttps://doi.org/10.1063/1.4995558openalex-snapshot
Path lumping: An efficient algorithm to identify metastable path channels for conformational dynamics of multi-body systems
inferred← citeshttps://doi.org/10.1063/5.0010787openalex-snapshot
On the advantages of exploiting memory in Markov state models for biomolecular dynamics
inferred← citeshttps://doi.org/10.1063/5.0086110openalex-snapshot
Nanoparticle cluster formation mechanisms elucidated via Markov state modeling: Attraction range effects, aggregation pathways, and counterintuitive transition rates
inferred← citeshttps://doi.org/10.1063/5.0142302openalex-snapshot
Self-assembling peptide biomaterials: Insights from spontaneous and enhanced sampling molecular dynamics simulations
inferred← citeshttps://doi.org/10.1063/5.0150272openalex-snapshot
Disease mutations and phosphorylation alter the allosteric pathways involved in autoinhibition of protein phosphatase 2A
inferred← citeshttps://doi.org/10.1063/5.0167287openalex-snapshot
Integrative generalized master equation: A method to study long-timescale biomolecular dynamics via the integrals of memory kernels
inferred← citeshttps://doi.org/10.1063/5.0189429openalex-snapshot
Tutorial on how to build non-Markovian dynamic models from molecular dynamics simulations for studying protein conformational changes
inferred← citeshttps://doi.org/10.1063/5.0354758openalex-snapshot
Thermodynamic landscapes of conformational regulation during intrinsically disordered protein fibrillation
inferred← citeshttps://doi.org/10.1063/9780735425279_010openalex-snapshot
A Step-by-Step Guide on How to Construct Quasi-Markov State Models to Study Functional Conformational Changes of Biological Macromolecules
inferred← citeshttps://doi.org/10.1073/pnas.2002570117openalex-snapshot
Differences in the free energies between the excited states of A β 40 and A β 42 monomers encode their aggregation propensities
inferred← citeshttps://doi.org/10.1073/pnas.2105230118openalex-snapshot
Independent Markov decomposition: Toward modeling kinetics of biomolecular complexes
inferred← citeshttps://doi.org/10.1080/07391102.2014.948070openalex-snapshot
Hierarchical sampling for metastable conformers determines biomolecular recognition: the case of malectin and diglucosylated N-glycan interactions
inferred← citeshttps://doi.org/10.1080/07391102.2023.2254411openalex-snapshot
In silico design and identification of new peptides for mitigating hIAPP aggregation in type 2 diabetes
inferred← citeshttps://doi.org/10.1088/2632-2153/ad10ceopenalex-snapshot
Rescuing off-equilibrium simulation data through dynamic experimental data with dynAMMo
inferred← citeshttps://doi.org/10.1093/nar/gkaa1252openalex-snapshot
Atomic resolution of short-range sliding dynamics of thymine DNA glycosylase along DNA minor-groove for lesion recognition
inferred← citeshttps://doi.org/10.1093/nar/gkx1261openalex-snapshot
Dynamics of the excised base release in thymine DNA glycosylase during DNA repair process
inferred← citeshttps://doi.org/10.1101/2021.06.09.447666openalex-snapshot
Multi-Level DBSCAN: A Hierarchical Density-Based Clustering Method for Analyzing Molecular Dynamics Simulation Trajectories
inferred← citeshttps://doi.org/10.1101/2022.03.30.486366openalex-snapshot
Deep learning to decompose macromolecules into independent Markovian domains
inferred← citeshttps://doi.org/10.1101/2022.06.25.497626openalex-snapshot
pH Induced Switch in the Conformational Ensemble of an Intrinsically Disordered Protein Prothymosin- α and Its Implications to Amyloid Fibril Formation
inferred← citeshttps://doi.org/10.1101/2023.06.20.545775openalex-snapshot
Delineating Structural Propensities of the 4E-BP2 Protein via Integrative Modelling and Clustering
inferred← citeshttps://doi.org/10.1101/2024.11.16.623924openalex-snapshot
Elucidating conformational alteration of human islet amyloid polypeptide by nonsynonymous substitution
inferred← citeshttps://doi.org/10.1126/sciadv.adg7943openalex-snapshot
Single-molecule visualization determines conformational substate ensembles in β-sheet–rich peptide fibrils
inferred← citeshttps://doi.org/10.1360/ssc-2020-0082openalex-snapshot
Multiscale simulation and kinetic network model analysis of the self-assembly of amphiphilic systems
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1003767openalex-snapshot
Quantitatively Characterizing the Ligand Binding Mechanisms of Choline Binding Protein Using Markov State Model Analysis
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1004619openalex-snapshot
Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics
inferred← citeshttps://doi.org/10.1371/journal.pone.0125899openalex-snapshot
Effects of the Pathogenic Mutation A117V and the Protective Mutation H111S on the Folding and Aggregation of PrP106-126: Insights from Replica Exchange Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.1371/journal.pone.0186219openalex-snapshot
Effects of forcefield and sampling method in all-atom simulations of inherently disordered proteins: Application to conformational preferences of human amylin
inferred← citeshttps://doi.org/10.26434/chemrxiv-2022-0n9ldopenalex-snapshot
Integrative Generalized Master Equation: A Theory to Study Long-timescale Biomolecular Dynamics via the Integrals of Memory Kernels
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-0gssbopenalex-snapshot
Replica Exchange with Solute Tempering for Protein Conformational Sampling
inferred← citeshttps://doi.org/10.31426/ijrpbopenalex-snapshot
Indian Journal of Research in Pharmacy and Biotechnology
inferred← citeshttps://doi.org/10.3389/fchem.2020.00051openalex-snapshot
Pristine and Hydroxylated Fullerenes Prevent the Aggregation of Human Islet Amyloid Polypeptide and Display Different Inhibitory Mechanisms
inferred← citeshttps://doi.org/10.3390/biom4010020openalex-snapshot
Misfolding of Amyloidogenic Proteins and Their Interactions with Membranes
inferred← citeshttps://doi.org/10.3390/biom9040146openalex-snapshot
Recent Advances in Computational Protocols Addressing Intrinsically Disordered Proteins
inferred← citeshttps://doi.org/10.3390/cells11244016openalex-snapshot
Recent Advances of Studies on Cell-Penetrating Peptides Based on Molecular Dynamics Simulations
inferred← citeshttps://doi.org/10.3390/ijms17111896openalex-snapshot
Effect of Post-Translational Amidation on Islet Amyloid Polypeptide Conformational Ensemble: Implications for Its Aggregation Early Steps
inferred← citeshttps://doi.org/10.3390/ijms20061322openalex-snapshot
Modulation of Disordered Proteins with a Focus on Neurodegenerative Diseases and Other Pathologies
inferred← citeshttps://doi.org/10.3390/ijms20133325openalex-snapshot
Dynamics and Mechanisms in the Recruitment and Transference of Histone Chaperone CIA/ASF1
inferred← citeshttps://doi.org/10.3390/ijms23052399openalex-snapshot
Deciphering the Effect of Lysine Acetylation on the Misfolding and Aggregation of Human Tau Fragment 171IPAKTPPAPK180 Using Molecular Dynamic Simulation and the Markov State Model
inferred← citeshttps://doi.org/10.3390/life12040583openalex-snapshot
Factors That Contribute to hIAPP Amyloidosis in Type 2 Diabetes Mellitus
inferred← citeshttps://doi.org/10.3390/molecules23092142openalex-snapshot
Characterisation of the Structure and Oligomerisation of Islet Amyloid Polypeptides (IAPP): A Review of Molecular Dynamics Simulation Studies
inferred← citeshttps://doi.org/10.3724/abbs.2022050openalex-snapshot
Computational investigations on target-site searching and recognition mechanisms by thymine DNA glycosylase during DNA repair process
inferred← citeshttps://doi.org/10.4137/sti.s12319openalex-snapshot
Prion Protein Signaling in the Nervous System—A Review and Perspective
inferred← citeshttps://doi.org/10.4161/21690707.2014.984569openalex-snapshot
Digested disorder, Quarterly intrinsic disorder digest (October-November-December, 2013)
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.