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Information Theory-Based Scoring Function for the Structure-Based Prediction of Protein−Ligand Binding Affinity
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1096-987x(199908)20:11<1177::aid-jcc8>3.0.co;2-0openalex-snapshot
BLEEP?potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data
inferredcites →https://doi.org/10.1002/1097-0134(20001101)41:2<173::aid-prot30>3.0.co;2-3openalex-snapshot
DARWIN: A program for docking flexible molecules
inferredcites →https://doi.org/10.1002/anie.200603625openalex-snapshot
How Reliable Are Current Docking Approaches for Structure‐Based Drug Design? Lessons from Aldose Reductase
inferredcites →https://doi.org/10.1002/j.1538-7305.1948.tb00917.xopenalex-snapshot
A Mathematical Theory of Communication
inferredcites →https://doi.org/10.1002/pro.5560040923openalex-snapshot
A preference-based free-energy parameterization of enzyme-inhibitor binding. Applications to HIV-1-protease inhibitor design
inferredcites →https://doi.org/10.1002/prot.10026openalex-snapshot
Geometric and chemical patterns of interaction in protein–ligand complexes and their application in docking
inferredcites →https://doi.org/10.1002/prot.10198openalex-snapshot
Information‐theoretic dissection of pairwise contact potentials
inferredcites →https://doi.org/10.1002/prot.10465openalex-snapshot
Improved protein–ligand docking using GOLD
inferredcites →https://doi.org/10.1002/prot.340230205openalex-snapshot
Perfect temperature for protein structure prediction and folding
inferredcites →https://doi.org/10.1006/jmbi.1993.1329openalex-snapshot
Empirical Scale of Side-Chain Conformational Entropy in Protein Folding
inferredcites →https://doi.org/10.1006/jmbi.1994.1334openalex-snapshot
Satisfying Hydrogen Bonding Potential in Proteins
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.1999.3371openalex-snapshot
Knowledge-based scoring function to predict protein-ligand interactions
inferredcites →https://doi.org/10.1016/j.drudis.2006.05.012openalex-snapshot
Virtual ligand screening: strategies, perspectives and limitations
inferredcites →https://doi.org/10.1016/j.jmb.2003.11.041openalex-snapshot
Understanding Protein–Ligand Interactions: The Price of Protein Flexibility
inferredcites →https://doi.org/10.1016/s0022-2836(05)80068-3openalex-snapshot
Identification of native protein folds amongst a large number of incorrect models
inferredcites →https://doi.org/10.1016/s0959-440x(00)00195-0openalex-snapshot
Statistical potentials and scoring functions applied to protein–ligand binding
inferredcites →https://doi.org/10.1016/s0959-440x(99)80050-5openalex-snapshot
Progress in protein structure prediction: Assessment of CASP3
inferredcites →https://doi.org/10.1016/s0968-0004(97)01140-7openalex-snapshot
PDBsum: a web-based database of summaries and analyses of all PDB structures
inferredcites →https://doi.org/10.1016/s1093-3263(02)00123-7openalex-snapshot
VEGA: a versatile program to convert, handle and visualize molecular structure on Windows-based PCs
inferredcites →https://doi.org/10.1021/ci049733jopenalex-snapshot
An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein−Ligand Complexes
inferredcites →https://doi.org/10.1021/ja960751uopenalex-snapshot
SMoG: de Novo Design Method Based on Simple, Fast, and Accurate Free Energy Estimates. 1. Methodology and Supporting Evidence
inferredcites →https://doi.org/10.1021/jm020406hopenalex-snapshot
Surflex: Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine
inferredcites →https://doi.org/10.1021/jm050468iopenalex-snapshot
Scaffold Hopping through Virtual Screening Using 2D and 3D Similarity Descriptors: Ranking, Voting, and Consensus Scoring
inferredcites →https://doi.org/10.1021/jm0608356openalex-snapshot
Benchmarking Sets for Molecular Docking
inferredcites →https://doi.org/10.1021/jm980536jopenalex-snapshot
A General and Fast Scoring Function for Protein−Ligand Interactions: A Simplified Potential Approach
inferredcites →https://doi.org/10.1021/ma60049a026openalex-snapshot
Statistical Mechanical Treatment of Protein Conformation. I. Conformational Properties of Amino Acids in Proteins
inferredcites →https://doi.org/10.1023/a:1008737207775openalex-snapshot
Virtual screening with solvation and ligand-induced complementarity
inferredcites →https://doi.org/10.1023/a:1008770523049openalex-snapshot
Estimating binding constants – The hydrophobic effect and cooperativity
inferredcites →https://doi.org/10.1023/b:jcam.0000035186.90683.f2openalex-snapshot
VEGA – An open platform to develop chemo-bio-informatics applications, using plug-in architecture and script programming
inferredcites →https://doi.org/10.1039/b409570gopenalex-snapshot
Predicting protein–ligand binding affinities: a low scoring game?
inferredcites →https://doi.org/10.1093/nar/29.1.221openalex-snapshot
PDBsum: summaries and analyses of PDB structures
inferredcites →https://doi.org/10.1093/nar/29.1.242openalex-snapshot
BIND--The Biomolecular Interaction Network Database
inferredcites →https://doi.org/10.1093/nar/gki414openalex-snapshot
ProFunc: a server for predicting protein function from 3D structure
inferredcites →https://doi.org/10.1093/protein/4.5.531openalex-snapshot
Modelling of solvent positions around polar groups in proteins
inferredcites →https://doi.org/10.1093/protein/8.7.677openalex-snapshot
Empirical free energy calculations of ligand-protein crystallographic complexes. I. Knowledge-based ligand-protein interaction potentials applied to the prediction of human immunodeficiency virus 1 protease binding affinity
inferredcites →https://doi.org/10.1107/s0108768198001463openalex-snapshot
Carbonyl–Carbonyl Interactions can be Competitive with Hydrogen Bonds
inferredcites →https://doi.org/10.1126/science.2011744openalex-snapshot
Reconciling the Magnitude of the Microscopic and Macroscopic Hydrophobic Effects
inferredcites →https://doi.org/10.1186/1471-2105-8-310openalex-snapshot
Setting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/chin.200904217openalex-snapshot
ChemInform Abstract: Information Theory‐Based Scoring Function for the Structure‐Based Prediction of Protein—Ligand Binding Affinity.
inferred← citeshttps://doi.org/10.1002/prot.22689openalex-snapshot
A comprehensive examination of the contributions to the binding entropy of protein–ligand complexes
inferred← citeshttps://doi.org/10.1007/978-3-031-46545-1_17openalex-snapshot
In Silico Approaches in Pesticides
inferred← citeshttps://doi.org/10.1007/s00894-011-1157-6openalex-snapshot
Application of information theory to feature selection in protein docking
inferred← citeshttps://doi.org/10.1016/j.ejmech.2009.12.025openalex-snapshot
Post-docking virtual screening of diverse binding pockets: Comparative study using DOCK, AMMOS, X-Score and FRED scoring functions
inferred← citeshttps://doi.org/10.1016/j.jmgm.2010.09.004openalex-snapshot
Evaluation of various inverse docking schemes in multiple targets identification
inferred← citeshttps://doi.org/10.1021/jp210265dopenalex-snapshot
Probing the Effect of Conformational Constraint on Phosphorylated Ligand Binding to an SH2 Domain Using Polarizable Force Field Simulations
inferred← citeshttps://doi.org/10.1038/s41598-018-30999-1openalex-snapshot
PPInS: a repository of protein-protein interaction sitesbase
inferred← citeshttps://doi.org/10.1088/1478-3975/ac50baopenalex-snapshot
Gaussian network model revisited: effects of mutation and ligand binding on protein behavior
inferred← citeshttps://doi.org/10.1093/bib/bbad192openalex-snapshot
emPDBA: protein-DNA binding affinity prediction by combining features from binding partners and interface learned with ensemble regression model
inferred← citeshttps://doi.org/10.1093/bioinformatics/btq112openalex-snapshot
A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking
inferred← citeshttps://doi.org/10.1101/2021.09.13.460049openalex-snapshot
Convex-PL R – Revisiting affinity predictions and virtual screening using physics-informed machine learning
inferred← citeshttps://doi.org/10.1109/icnc.2013.6818014openalex-snapshot
Construction of a novel scoring function by using a genetic algorithm for virtual screening of histone deacetylase inhibitors (HDACi)
inferred← citeshttps://doi.org/10.1109/icssas66150.2025.11081108openalex-snapshot
AI-Driven Protein Discovery: Bridging Computational Innovation and Therapeutic Advancements
inferred← citeshttps://doi.org/10.1155/2013/427958openalex-snapshot
Efficacious End User Measures—Part 1: Relative Class Size and End User Problem Domains
inferred← citeshttps://doi.org/10.1533/9781908818256.79openalex-snapshot
Ligand-binding-site recognition
inferred← citeshttps://doi.org/10.15625/2525-2518/59/4/16003openalex-snapshot
VIRTUAL SCREENING STATEGIES IN DRUG DISCOVERY – A BRIEF OVERVIEW
inferred← citeshttps://doi.org/10.2174/09298673113209990001openalex-snapshot
Virtual Screening Strategies in Drug Discovery: A Critical Review
inferred← citeshttps://doi.org/10.3390/molecules28041661openalex-snapshot
Machine Learning Scoring Functions for Drug Discovery from Experimental and Computer-Generated Protein–Ligand Structures: Towards Per-Target Scoring Functions
inferred← citeshttps://doi.org/10.70675/d5fdc018z1d3fz4af2zb794zae806588d521openalex-snapshot
Development of novel algorithms for data-driven prediction of interactions between proteins and small molecules
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