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An inequality for 3D database searching and its use in evaluating the treatment of conformational flexibility

https://doi.org/10.1007/bf00134184
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What this work says

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

inferredcites →https://doi.org/10.1002/jcc.540160205openalex-snapshot
Poling: Promoting conformational variation
inferredcites →https://doi.org/10.1007/bf00119865openalex-snapshot
FLOG: A system to select ?quasi-flexible? ligands complementary to a receptor of known three-dimensional structure
inferredcites →https://doi.org/10.1007/bf00123666openalex-snapshot
Flexibases: A way to enhance the use of molecular docking methods
inferredcites →https://doi.org/10.1007/bf00124349openalex-snapshot
CAVEAT: A program to facilitate the design of organic molecules
inferredcites →https://doi.org/10.1007/bf01533070openalex-snapshot
ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures
inferredcites →https://doi.org/10.1016/0022-2836(82)90153-xopenalex-snapshot
A geometric approach to macromolecule-ligand interactions
inferredcites →https://doi.org/10.1021/ci00005a017openalex-snapshot
Use of flexible queries for searching conformationally flexible molecules in databases of three-dimensional structures
inferredcites →https://doi.org/10.1021/ci00017a024openalex-snapshot
Conformational searching in ISIS/3D databases
inferredcites →https://doi.org/10.1021/ci00017a025openalex-snapshot
Flexible 3D searching: The directed tweak technique
inferredcites →https://doi.org/10.1021/ci00064a005openalex-snapshot
3DSEARCH: a system for three-dimensional substructure searching
inferredcites →https://doi.org/10.1021/ci00067a016openalex-snapshot
Conformational freedom in 3-D databases. 1. Techniques
inferredcites →https://doi.org/10.1021/jm00161a004openalex-snapshot
Docking flexible ligands to macromolecular receptors by molecular shape

What points at this work

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

inferred← citeshttps://doi.org/10.1002/0470845015.cda027openalex-snapshot
High‐throughput ‘Virtual’ Chemistry
inferred← citeshttps://doi.org/10.1007/0-306-46873-5_7openalex-snapshot
Molecular Diversity in Site-focused Libraries
inferred← citeshttps://doi.org/10.1007/7653_2018_14openalex-snapshot
Advanced Chemometric Modeling Approaches for the Design of Multitarget Drugs Against Neurodegenerative Diseases
inferred← citeshttps://doi.org/10.1007/978-3-0348-7997-2_10openalex-snapshot
Structure-based design of combinatorial libraries
inferred← citeshttps://doi.org/10.1016/j.ddtec.2010.12.002openalex-snapshot
History of 3D pharmacophore searching: commercial, academic and open-source tools
inferred← citeshttps://doi.org/10.1016/s0065-7743(08)60590-4openalex-snapshot
Chapter 28. Recent Developments in Molecular Diversity: Computational Approaches to Combinatorial Chemistry
inferred← citeshttps://doi.org/10.1016/s1359-6446(97)01163-xopenalex-snapshot
Virtual screening—an overview
inferred← citeshttps://doi.org/10.1016/s1359-6446(98)01186-6openalex-snapshot
Approaches to virtual library design
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.9b01512openalex-snapshot
Breaking the Glass Ceiling in Simulation and Modeling: Women in Pharmaceutical Discovery
inferred← citeshttps://doi.org/10.1021/ci990183copenalex-snapshot
Combinatorial Library Design: Maximizing Model-Fitting Compounds within Matrix Synthesis Constraints
inferred← citeshttps://doi.org/10.1023/a:1008019326401openalex-snapshot
Strategies for the determination of pharmacophoric 3D database queries
inferred← citeshttps://doi.org/10.1080/10629369808039146openalex-snapshot
Addressing the Challenges Posed by Combinatorial Chemistry: 3D Databases, Pharmacophore Recognition and Beyond
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