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Three-Dimensional Shape-Based Searching of Conformationally Flexible Compounds

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What this work says

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

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New molecular descriptors for 2D and 3D structures. Theory
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Poling: Promoting conformational variation
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Molecular skins: A new concept for quantitative shape matching of a protein with its small molecule mimics
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Molecular surface-volume and property matching to superpose flexible dissimilar molecules
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Similarity Searching in Files of Three-Dimensional Chemical Structures. Alignment of Molecular Electrostatic Potential Fields with a Genetic Algorithm
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A Gaussian Description of Molecular Shape
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Definition and display of steric, hydrophobic, and hydrogen bonding properties of ligand binding sites in proteins using Lee and Richards accessible surface: validation of a high-resolution graphical tool for drug design
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Structure-activity relationships of antifilarial antimycin analogs: a multivariate pattern recognition study
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Synthesis and structure-activity relationships of new 7-[3-(fluoromethyl)piperazinyl]- and -(fluorohomopiperazinyl)quinolone antibacterials
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The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules
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Synthesis and serotonin receptor affinities of a series of enantiomers of .alpha.-methyltryptamines: evidence for the binding conformation of tryptamines at serotonin 5-HT1B receptors
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Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition
inferredcites →https://doi.org/10.1021/jp953707uopenalex-snapshot
A Gaussian Description of Molecular Shape
inferredcites →https://doi.org/10.1107/s0021889883010985openalex-snapshot
Analytical molecular surface calculation

What points at this work

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

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