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Partial Molecular Alignment via Local Structure Analysis
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
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A geometric approach to macromolecule-ligand interactions
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The theory and practice of distance geometry
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New method for rapid characterization of molecular shapes: applications in drug design
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A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds
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Structural requirements for catalysis by chorismate mutase
inferredcites →https://doi.org/10.1021/ja00299a024openalex-snapshot
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
inferredcites →https://doi.org/10.1023/a:1007966011516openalex-snapshot
Comparison of protein surfaces using a genetic algorithm
inferredcites →https://doi.org/10.1038/nsb0495-293openalex-snapshot
High resolution structures of HIV-1 RT from four RT–inhibitor complexes
inferredcites →https://doi.org/10.1109/34.615444openalex-snapshot
Partial surface and volume matching in three dimensions
inferredcites →https://doi.org/10.1126/science.2200122openalex-snapshot
Design, Activity, and 2.8 Å Crystal Structure of a C 2 Symmetric Inhibitor Complexed to HIV-1 Protease
inferredcites →https://doi.org/10.1126/science.2686029openalex-snapshot
Structure of Complex of Synthetic HIV-1 Protease with a Substrate-Based Inhibitor at 2.3 Å Resolution
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/cem.842openalex-snapshot
A dedicated generalized Procrustes algorithm for consensus molecular alignment
inferred← citeshttps://doi.org/10.1002/qsar.200430912openalex-snapshot
A simple, Automated Quasi-4D-QSAR, Quasi-multi Way PLS Approach to Develop Highly Predictive QSAR Models for Highly Flexible CXCR4 Inhibitor Cyclic Pentapeptide Ligands Using Scripted Common Molecular Modeling Tools
inferred← citeshttps://doi.org/10.1007/978-3-642-41315-5_16openalex-snapshot
Smoothed Gaussian molecular fields: an evaluation of molecular alignment problems
inferred← citeshttps://doi.org/10.1007/s00214-012-1259-yopenalex-snapshot
Smoothed Gaussian molecular fields: an evaluation of molecular alignment problems
inferred← citeshttps://doi.org/10.1007/s00894-007-0251-2openalex-snapshot
Pattern recognition based on color-coded quantum mechanical surfaces for molecular alignment
inferred← citeshttps://doi.org/10.1016/j.jmgm.2007.04.001openalex-snapshot
From diatomics to drugs and dividends
inferred← citeshttps://doi.org/10.1016/j.tips.2008.12.001openalex-snapshot
The importance of discerning shape in molecular pharmacology
inferred← citeshttps://doi.org/10.1021/ci0256384openalex-snapshot
A Novel Subshape Molecular Descriptor
inferred← citeshttps://doi.org/10.1021/ci0302916openalex-snapshot
Consensus Molecular Alignment Based on Generalized Procrustes Analysis
inferred← citeshttps://doi.org/10.1021/ci050021iopenalex-snapshot
Comparing the Performance of FLUFF-BALL to SEAL-CoMFA with a Large Diverse Estrogen Data Set: From Relevant Superpositions to Solid Predictions
inferred← citeshttps://doi.org/10.1021/ci700395fopenalex-snapshot
Technique for Generating Three-Dimensional Alignments of Multiple Ligands from One-Dimensional Alignments
inferred← citeshttps://doi.org/10.1021/jf501166wopenalex-snapshot
Isolation of the Sapogenin from Defatted Seeds of Camellia oleifera and Its Neuroprotective Effects on Dopaminergic Neurons
inferred← citeshttps://doi.org/10.1021/jm040136yopenalex-snapshot
From Diatomics to Drugs and Distributions
inferred← citeshttps://doi.org/10.1080/00268970310001605741openalex-snapshot
(William) Graham Richards
inferred← citeshttps://doi.org/10.1109/icde.2011.5767955openalex-snapshot
Non-metric similarity search problems in very large collections
inferred← citeshttps://doi.org/10.1145/1978802.1978813openalex-snapshot
On nonmetric similarity search problems in complex domains
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