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CAESAR: A New Conformer Generation Algorithm Based on Recursive Buildup and Local Rotational Symmetry Consideration

https://doi.org/10.1021/ci700136x
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What this work says

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

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Analysis of the genetic algorithm method of molecular conformation determination
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Poling: Promoting conformational variation
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PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
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Distance geometry and molecular conformation
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The protein folding problem and tertiary structure prediction
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A combined model-building and distance-geometry approach to automated conformational analysis and search
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Chemical Function Queries for 3D Database Search
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A New Method for Fast and Accurate Derivation of Molecular Conformations
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Comparison of Conformational Analysis Techniques To Generate Pharmacophore Hypotheses Using Catalyst
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MIMUMBA Revisited: Torsion Angle Rules for Conformer Generation Derived from X-ray Structures
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Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations
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Identification of Common Functional Configurations Among Molecules
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Conformational Energy Calculations on Polypeptides and Proteins
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Empirical and ab initio estimates of the stabilities of fluorine-containing cations
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Conformational Analysis of Drug-Like Molecules Bound to Proteins: An Extensive Study of Ligand Reorganization upon Binding
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Distributed torsion angle grid search in high dimensions: A systematic approach to NMR structure determination
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Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools
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PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching
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Optimization by Simulated Annealing
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Bone Cell Differentiation and Growth Factors

What points at this work

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

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Xanthine oxidase inhibitory study of eight structurally diverse phenolic compounds
inferred← citeshttps://doi.org/10.4018/978-1-4666-8136-1.ch009openalex-snapshot
Computational Approaches for the Discovery of Novel Hepatitis C Virus NS3/4A and NS5B Inhibitors
inferred← citeshttps://doi.org/10.4018/978-1-5225-0549-5.ch017openalex-snapshot
Computational Approaches for the Discovery of Novel Hepatitis C Virus NS3/4A and NS5B Inhibitors
inferred← citeshttps://doi.org/10.4155/fmc-2018-0400openalex-snapshot
Energy Windows for Computed Compound Conformers: Covering Artefacts Or Truly Large Reorganization Energies?
inferred← citeshttps://doi.org/10.4155/fmc.13.59openalex-snapshot
State-of-the-Art and Dissemination of Computational Tools for Drug-Design Purposes: A Survey Among Italian Academics and Industrial Institutions
inferred← citeshttps://doi.org/10.4155/fmc.14.114openalex-snapshot
Pharmacophore Modeling for Cox-1 and -2 Inhibitors with Ligandscout in Comparison to Discovery Studio
inferred← citeshttps://doi.org/10.51415/10321/1268openalex-snapshot
Development of electrophoretic and biosensor methods applied to high intensity sweeteners
inferred← citeshttps://doi.org/10.70675/b4fda7f8z33f2z49cdzab44zb39365720137openalex-snapshot
Approche multi-échelle pour l’étude de la réaction de N-acylation enzymatique d’acides aminés
inferred← citeshttps://doi.org/10.70675/de51bc89z33fez456fz9467z959329cc603bopenalex-snapshot
Optimisation de méthodes de criblage virtuel et synthèse de molécules à visée thérapeutique pour le traitement des maladies auto-immunes.
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