On the public citation graph
Assessment of Multiple Binding Modes in Ligand−Protein Docking
0 signed · 61 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known work and none has been retracted — and get a dated CiteStamped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/prot.10119openalex-snapshot
ConsDock: A new program for the consensus analysis of protein–ligand interactions
inferredcites →https://doi.org/10.1002/prot.10465openalex-snapshot
Improved protein–ligand docking using GOLD
inferredcites →https://doi.org/10.1007/bf00124499openalex-snapshot
Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4
inferredcites →https://doi.org/10.1016/s0009-2614(02)01035-7openalex-snapshot
Comparison of stochastic optimization methods for receptor–ligand docking
inferredcites →https://doi.org/10.1016/s0009-2614(02)01925-5openalex-snapshot
A new quantum stochastic tunnelling optimisation method for protein–ligand docking
inferredcites →https://doi.org/10.1016/s0009-2614(02)02012-2openalex-snapshot
Application of the stochastic tunneling method to high throughput database screening
inferredcites →https://doi.org/10.1016/s0959-440x(02)00310-xopenalex-snapshot
Complexity and simplicity of ligand–macromolecule interactions: the energy landscape perspective
inferredcites →https://doi.org/10.1021/jm000017sopenalex-snapshot
Novel Inhibitors of DNA Gyrase: 3D Structure Based Biased Needle Screening, Hit Validation by Biophysical Methods, and 3D Guided Optimization. A Promising Alternative to Random Screening
inferredcites →https://doi.org/10.1021/jm0003992openalex-snapshot
Detailed Analysis of Scoring Functions for Virtual Screening
inferredcites →https://doi.org/10.1021/jm0101141openalex-snapshot
Hierarchy of Simulation Models in Predicting Structure and Energetics of the Src SH2 Domain Binding to Tyrosyl Phosphopeptides
inferredcites →https://doi.org/10.1021/jm010141ropenalex-snapshot
Evaluation of Docking Functions for Protein−Ligand Docking
inferredcites →https://doi.org/10.1021/jm990352kopenalex-snapshot
Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
inferredcites →https://doi.org/10.1023/a:1007907728892openalex-snapshot
QXP: Powerful, rapid computer algorithms for structure-based drug design
inferredcites →https://doi.org/10.1023/a:1020155510718openalex-snapshot
A review of protein-small molecule docking methods
inferredcites →https://doi.org/10.1049/sqj.1966.0063openalex-snapshot
Quantum Mechanics and Path Integrals
inferredcites →https://doi.org/10.1073/pnas.93.17.8945openalex-snapshot
Unraveling principles of lead discovery: from unfrustrated energy landscapes to novel molecular anchors.
inferredcites →https://doi.org/10.1103/physrevlett.82.3003openalex-snapshot
Stochastic Tunneling Approach for Global Minimization of Complex Potential Energy Landscapes
inferredcites →https://doi.org/10.1103/physrevlett.90.188101openalex-snapshot
Energy Landscape Theory, Funnels, Specificity, and Optimal Criterion of Biomolecular Binding
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/jcc.20246openalex-snapshot
New and fast statistical‐thermodynamic method for computation of protein‐ligand binding entropy substantially improves docking accuracy
inferred← citeshttps://doi.org/10.1002/jcc.20580openalex-snapshot
Role of binding entropy in the refinement of protein–ligand docking predictions: Analysis based on the use of 11 scoring functions
inferred← citeshttps://doi.org/10.1002/prot.20673openalex-snapshot
Novel statistical‐thermodynamic methods to predict protein‐ligand binding positions using probability distribution functions
inferred← citeshttps://doi.org/10.1002/prot.20790openalex-snapshot
PSI‐DOCK: Towards highly efficient and accurate flexible ligand docking
inferred← citeshttps://doi.org/10.1002/prot.21844openalex-snapshot
A statistical rescoring scheme for protein–ligand docking: Consideration of entropic effect
inferred← citeshttps://doi.org/10.1002/prot.21847openalex-snapshot
High quality binding modes in docking ligands to proteins
inferred← citeshttps://doi.org/10.1002/prot.22826openalex-snapshot
Flexibility and inhibitor binding in cdc25 phosphatases
inferred← citeshttps://doi.org/10.1007/s00044-013-0654-9openalex-snapshot
In silico docking studies of bioactive natural plant products as putative DHFR antagonists
inferred← citeshttps://doi.org/10.1007/s00894-011-1011-xopenalex-snapshot
A combined molecular modeling study on a series of pyrazole/isoxazole based human Hsp90α inhibitors
inferred← citeshttps://doi.org/10.1007/s10822-007-9116-0openalex-snapshot
Calculations of protein-ligand binding entropy of relative and overall molecular motions
inferred← citeshttps://doi.org/10.1007/s10989-006-9016-5openalex-snapshot
Peptide, Peptidomimetic, and Small-molecule Antagonists of the p53–HDM2 Protein–Protein Interaction
inferred← citeshttps://doi.org/10.1007/s11172-014-0687-3openalex-snapshot
Natural compounds as a basis for the design of modulators of p53 activity
inferred← citeshttps://doi.org/10.1016/j.bioorg.2014.05.008openalex-snapshot
Applications of structure-based design to antibacterial drug discovery
inferred← citeshttps://doi.org/10.1016/j.bmc.2006.11.012openalex-snapshot
Paclitaxel binding to human serum albumin—Automated docking studies
inferred← citeshttps://doi.org/10.1016/j.bmc.2007.09.006openalex-snapshot
Paclitaxel binding to the fatty acid-induced conformation of human serum albumin—Automated docking studies
inferred← citeshttps://doi.org/10.1016/j.bmcl.2004.12.061openalex-snapshot
Isoindolinone-based inhibitors of the MDM2–p53 protein–protein interaction
inferred← citeshttps://doi.org/10.1016/j.bmcl.2011.01.054openalex-snapshot
Anti-tumor pyrimidinylpiperazines bind to the prosurvival Bcl-2 protein family member Bcl-XL
inferred← citeshttps://doi.org/10.1016/j.ejmech.2011.12.027openalex-snapshot
Synthesis and biological assessment of novel 2-thiazolylhydrazones and computational analysis of their recognition by monoamine oxidase B
inferred← citeshttps://doi.org/10.1016/j.ijbiomac.2020.07.044openalex-snapshot
Mapping the underlying mechanisms of fibrinogen benzothiazole drug interactions using computational and experimental approaches
inferred← citeshttps://doi.org/10.1016/j.jmgm.2007.04.012openalex-snapshot
Exploring ligand recognition and ion flow in comparative models of the human GABA type A receptor
inferred← citeshttps://doi.org/10.1016/j.jmgm.2013.01.001openalex-snapshot
AutoMap: A tool for analyzing protein–ligand recognition using multiple ligand binding modes
inferred← citeshttps://doi.org/10.1016/j.physa.2005.02.028openalex-snapshot
On stochastic global optimization of one-dimensional functions
inferred← citeshttps://doi.org/10.1016/j.physa.2006.11.071openalex-snapshot
Energy landscape paving as a perfect optimization approach under detrended fluctuation analysis
inferred← citeshttps://doi.org/10.1021/acs.jctc.5b00253openalex-snapshot
Exploring Multiple Binding Modes Using Confined Replica Exchange Molecular Dynamics
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6c00031openalex-snapshot
Axial Symmetry Directs Ligand Orientation in Galectin-3
inferred← citeshttps://doi.org/10.1021/bi062320mopenalex-snapshot
Ensemble Modeling of Substrate Binding to Cytochromes P450: Analysis of Catalytic Differences between CYP1A Orthologs,
inferred← citeshttps://doi.org/10.1021/ci049870gopenalex-snapshot
Expanded Interaction Fingerprint Method for Analyzing Ligand Binding Modes in Docking and Structure-Based Drug Design
inferred← citeshttps://doi.org/10.1021/ci050141qopenalex-snapshot
A Comparative Study on the Application of Hierarchical−Agglomerative Clustering Approaches to Organize Outputs of Reiterated Docking Runs
inferred← citeshttps://doi.org/10.1021/ci500301sopenalex-snapshot
Ligand–Receptor Affinities Computed by an Adapted Linear Interaction Model for Continuum Electrostatics and by Protein Conformational Averaging
inferred← citeshttps://doi.org/10.1021/ci900463uopenalex-snapshot
Binding Energy Landscape Analysis Helps to Discriminate True Hits from High-Scoring Decoys in Virtual Screening
inferred← citeshttps://doi.org/10.1021/jm050196jopenalex-snapshot
Receptor Flexibility in de Novo Ligand Design and Docking
inferred← citeshttps://doi.org/10.1021/jm8000289openalex-snapshot
Identification of MMP-12 Inhibitors by Using Biosensor-Based Screening of a Fragment Library
inferred← citeshttps://doi.org/10.1021/jm800726bopenalex-snapshot
Discovery of New Inhibitors of d -Alanine: d -Alanine Ligase by Structure-Based Virtual Screening
inferred← citeshttps://doi.org/10.1038/nrmicro2349openalex-snapshot
Structure-based discovery of antibacterial drugs
inferred← citeshttps://doi.org/10.1039/c5mb00897bopenalex-snapshot
Insights into the properties of the two enantiomers of trans -δ-viniferin, a resveratrol derivative: antioxidant activity, biochemical and molecular modeling studies of its interactions with hemoglobin
inferred← citeshttps://doi.org/10.1080/10826070701274528openalex-snapshot
Quantitative In Silico Analysis of Ion Exchange from Chromatography to Protein
inferred← citeshttps://doi.org/10.11606/t.46.2016.tde-03082016-145527openalex-snapshot
Bioquímica e biofísica computacionais: simulações da reatividade e da estrutura de biomoléculas
inferred← citeshttps://doi.org/10.11606/t.46.2018.tde-14122017-135400openalex-snapshot
Simulações computacionais de desenovelamento de proteína e complexação de ligantes com amostragem aumentada
inferred← citeshttps://doi.org/10.1209/epl/i2006-10058-0openalex-snapshot
Adaptation in stochastic tunneling global optimization of complex potential energy landscapes
inferred← citeshttps://doi.org/10.1371/journal.pone.0046532openalex-snapshot
Can the Energy Gap in the Protein-Ligand Binding Energy Landscape Be Used as a Descriptor in Virtual Ligand Screening?
inferred← citeshttps://doi.org/10.1515/hsz-2013-0257openalex-snapshot
Molecular interactions of hemoglobin with resveratrol: potential protective antioxidant role and metabolic adaptations of the erythrocyte
inferred← citeshttps://doi.org/10.3390/molecules24030378openalex-snapshot
Approaches to the Structure-Based Design of Antivirulence Drugs: Therapeutics for the Post-Antibiotic Era
inferred← citeshttps://doi.org/10.3390/molecules28073203openalex-snapshot
1-Benzyl-5-bromo-3-hydrazonoindolin-2-ones as Novel Anticancer Agents: Synthesis, Biological Evaluation and Molecular Modeling Insights
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.