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ParaDockS : A Framework for Molecular Docking with Population-Based Metaheuristics
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
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BLEEP?potential of mean force describing protein-ligand interactions: I. Generating potential
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BLEEP?potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data
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Small Molecule Docking and Scoring
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The Use of Scoring Functions in Drug Discovery Applications
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SODOCK: Swarm optimization for highly flexible protein–ligand docking
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Comparative evaluation of eight docking tools for docking and virtual screening accuracy
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General and targeted statistical potentials for protein–ligand interactions
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A Fast Flexible Docking Method using an Incremental Construction Algorithm
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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
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Knowledge-based scoring function to predict protein-ligand interactions
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Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors 1 1Edited by J. Karn
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The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
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The mathematical modelling of cluster geometry
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Parameter selection in particle swarm optimization
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What do we know and when do we know it?
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An ant colony optimization approach to flexible protein–ligand docking
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A geometric approach to macromolecule-ligand interactions
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Molecular docking with multi-objective Particle Swarm Optimization
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Virtual ligand screening: strategies, perspectives and limitations
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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FieldScreen: Virtual Screening Using Molecular Fields. Application to the DUD Data Set
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Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS
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A new force field for molecular mechanical simulation of nucleic acids and proteins
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Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
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Surflex: Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine
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The PDBbind Database: Collection of Binding Affinities for Protein−Ligand Complexes with Known Three-Dimensional Structures
inferredcites →https://doi.org/10.1021/jm0306430openalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
inferredcites →https://doi.org/10.1021/jm049756popenalex-snapshot
Soft Docking and Multiple Receptor Conformations in Virtual Screening
inferredcites →https://doi.org/10.1021/jm0608356openalex-snapshot
Benchmarking Sets for Molecular Docking
inferredcites →https://doi.org/10.1021/jm061277yopenalex-snapshot
Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
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/jm990073xopenalex-snapshot
Evaluation of PMF Scoring in Docking Weak Ligands to the FK506 Binding Protein
inferredcites →https://doi.org/10.1023/a:1007996124545openalex-snapshot
Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
inferredcites →https://doi.org/10.1023/a:1016357811882openalex-snapshot
Further development and validation of empirical scoring functions for structure-based binding affinity prediction
inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferredcites →https://doi.org/10.1038/sj.bjp.0707515openalex-snapshot
Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go
inferredcites →https://doi.org/10.1093/protein/6.7.723openalex-snapshot
Matching chemistry and shape in molecular docking
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Research Article: pso @ autodock : A Fast Flexible Molecular Docking Program Based on Swarm Intelligence
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Animating rotation with quaternion curves
inferredcites →https://doi.org/10.2174/138920306778559412openalex-snapshot
eHiTS: An Innovative Approach to the Docking and Scoring Function Problems
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Fundamental considerations in drug design
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Solving molecular flexible docking problems with metaheuristics: A comparative study
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Bio-inspired optimization for the molecular docking problem: State of the art, recent results and perspectives
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Synthesis, biological evaluation and docking analysis of a new series of methylsulfonyl and sulfamoyl acetamides and ethyl acetates as potent COX-2 inhibitors
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Structure versus function—The impact of computational methods on the discovery of specific GPCR–ligands
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Open source molecular modeling
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Random drift particle swarm optimisation algorithm for highly flexible protein-ligand docking
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Macromolecular Symmetric Assembly Prediction Using Swarm Intelligence Dynamic Modeling
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Over View on Molecular Docking: A Powerful Approach for Structure Based Drug Discovery
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