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Elucidating Molecular Overlays from Pairwise Alignments Using a Genetic Algorithm

https://doi.org/10.1021/ci900109n
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1006/jmbi.1996.0897openalex-snapshot
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
inferredcites →https://doi.org/10.1007/bf00124324openalex-snapshot
A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
inferredcites →https://doi.org/10.1007/bf00141577openalex-snapshot
A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists
inferredcites →https://doi.org/10.1016/0165-6147(89)90173-9openalex-snapshot
Distance geometry and molecular conformation
inferredcites →https://doi.org/10.1016/0898-5529(90)90162-2openalex-snapshot
An alternative method for the alignment of molecular structures: Maximizing electrostatic and steric overlap
inferredcites →https://doi.org/10.1016/s1359-6446(97)01163-xopenalex-snapshot
Virtual screening—an overview
inferredcites →https://doi.org/10.1021/ci0503107openalex-snapshot
FLAME: A Program to Flexibly Align Molecules
inferredcites →https://doi.org/10.1021/ci060134hopenalex-snapshot
Geometric Accuracy of Three-Dimensional Molecular Overlays
inferredcites →https://doi.org/10.1021/ci950273ropenalex-snapshot
Identification of Common Functional Configurations Among Molecules
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/jm0002634openalex-snapshot
Flexible Alignment of Small Molecules
inferredcites →https://doi.org/10.1021/jm030520fopenalex-snapshot
Ligand-Based Structural Hypotheses for Virtual Screening
inferredcites →https://doi.org/10.1021/jm0608356openalex-snapshot
Benchmarking Sets for Molecular Docking
inferredcites →https://doi.org/10.1021/jm061073hopenalex-snapshot
Dissection of the Recognition Properties of p38 MAP Kinase. Determination of the Binding Mode of a New Pyridinyl−Heterocycle Inhibitor Family
inferredcites →https://doi.org/10.1021/jm9806143openalex-snapshot
SQ: A Program for Rapidly Producing Pharmacophorically Relevent Molecular Superpositions
inferredcites →https://doi.org/10.1021/jm981037lopenalex-snapshot
F lex S: A Method for Fast Flexible Ligand Superposition
inferredcites →https://doi.org/10.1023/a:1008011422113openalex-snapshot
Estimation of active conformations of drugs by a new molecular superposing procedure
inferredcites →https://doi.org/10.1023/a:1008194019144openalex-snapshot
Computational methods for the structural alignment of molecules
inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot
The Protein Data Bank
inferredcites →https://doi.org/10.2174/157016306780136781openalex-snapshot
Ligand-Based Drug Design Methodologies in Drug Discovery Process: An Overview
inferredcites →https://doi.org/10.5860/choice.27-0936openalex-snapshot
Genetic algorithms in search, optimization, and machine learning

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/wcms.1640openalex-snapshot
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods
inferred← citeshttps://doi.org/10.1007/s10822-014-9813-4openalex-snapshot
Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling
inferred← citeshttps://doi.org/10.1007/s10822-017-0023-8openalex-snapshot
MolAlign: an algorithm for aligning multiple small molecules
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01118openalex-snapshot
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations
inferred← citeshttps://doi.org/10.1021/ci1000218openalex-snapshot
pharmACOphore: Multiple Flexible Ligand Alignment Based on Ant Colony Optimization
inferred← citeshttps://doi.org/10.1021/ci100194kopenalex-snapshot
GAPE: An Improved Genetic Algorithm for Pharmacophore Elucidation
inferred← citeshttps://doi.org/10.1021/ci2001023openalex-snapshot
Build-Up Algorithm for Atomic Correspondence between Chemical Structures
inferred← citeshttps://doi.org/10.1021/ci3000369openalex-snapshot
MARS: Computing Three-Dimensional Alignments for Multiple Ligands Using Pairwise Similarities
inferred← citeshttps://doi.org/10.1021/ci400264fopenalex-snapshot
SCISSORS: Practical Considerations
inferred← citeshttps://doi.org/10.1021/ci400418copenalex-snapshot
De Novo Design of Drug-Like Molecules by a Fragment-Based Molecular Evolutionary Approach
inferred← citeshttps://doi.org/10.1186/1758-2946-2-s1-p17openalex-snapshot
pharmACOphore: multiple flexible ligand alignment based on ant colony optimization
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