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Assessment of a Cambridge Structural Database-Driven Overlay Program
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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.540100804openalex-snapshot
Validation of the general purpose tripos 5.2 force field
inferredcites →https://doi.org/10.1007/s10822-009-9264-5openalex-snapshot
Design of compound libraries for fragment screening
inferredcites →https://doi.org/10.1007/s10822-012-9573-yopenalex-snapshot
Development and validation of an improved algorithm for overlaying flexible molecules
inferredcites →https://doi.org/10.1021/ci049780bopenalex-snapshot
Retrieval of Crystallographically-Derived Molecular Geometry Information
inferredcites →https://doi.org/10.1021/ci100194kopenalex-snapshot
GAPE: An Improved Genetic Algorithm for Pharmacophore Elucidation
inferredcites →https://doi.org/10.1021/ci300154nopenalex-snapshot
GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods
inferredcites →https://doi.org/10.1021/ci400020aopenalex-snapshot
An Extensive and Diverse Set of Molecular Overlays for the Validation of Pharmacophore Programs
inferredcites →https://doi.org/10.1021/ci500358popenalex-snapshot
Knowledge-Based Libraries for Predicting the Geometric Preferences of Druglike Molecules
inferredcites →https://doi.org/10.1021/jm040163oopenalex-snapshot
A Shape-Based 3-D Scaffold Hopping Method and Its Application to a Bacterial Protein−Protein Interaction
inferredcites →https://doi.org/10.1021/jm200642wopenalex-snapshot
A Small Nonrule of 3 Compatible Fragment Library Provides High Hit Rate of Endothiapepsin Crystal Structures with Various Fragment Chemotypes
inferredcites →https://doi.org/10.1021/jm900817uopenalex-snapshot
Three-Dimensional Pharmacophore Methods in Drug Discovery
inferredcites →https://doi.org/10.1107/s0108768102003890openalex-snapshot
The Cambridge Structural Database: a quarter of a million crystal structures and rising
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/minf.202000081openalex-snapshot
sensaas : Shape‐based Alignment by Registration of Colored Point‐based Surfaces
inferred← citeshttps://doi.org/10.1007/s10822-017-0023-8openalex-snapshot
MolAlign: an algorithm for aligning multiple small molecules
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12346-7openalex-snapshot
2/3D Pharmacophore Definitions and Their Application
inferred← citeshttps://doi.org/10.1016/b978-0-443-29808-0.00005-4openalex-snapshot
2/3D Pharmacophore definitions and their application
inferred← citeshttps://doi.org/10.1016/j.jmgm.2020.107735openalex-snapshot
Targeting shikimate pathway: In silico analysis of phosphoenolpyruvate derivatives as inhibitors of EPSP synthase and DAHP synthase
inferred← citeshttps://doi.org/10.1016/j.molstruc.2019.127243openalex-snapshot
Supramolecular assembly of a 2D coordination polymer bearing pyridine-N-oxide-2,5-dicarboxylic acid and copper ion: X-ray crystallography and DFT calculations
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.2c02658openalex-snapshot
Opioid Drug Detection in Hair Samples Using Polyoxometalate-Based Frameworks
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00866openalex-snapshot
Validation of a Field-Based Ligand Screener Using a Novel Benchmarking Data Set for Assessing 3D-Based Virtual Screening Methods
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00618openalex-snapshot
ReFlex3D: Refined Flexible Alignment of Molecules Using Shape and Electrostatics
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00216openalex-snapshot
Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen
inferred← citeshttps://doi.org/10.1021/acsomega.5c04340openalex-snapshot
Drug Repurposing by Virtual Screening: Identification of New Already Approved ROCK Inhibitors as Promising Drugs to Target Neurodegeneration
inferred← citeshttps://doi.org/10.1093/bioinformatics/btae105openalex-snapshot
SENSAAS-Flex: a joint optimization approach for aligning 3D shapes and exploring the molecular conformation space
inferred← citeshttps://doi.org/10.3390/books978-3-03936-171-7openalex-snapshot
Chemical Bonding in Crystals and Their Properties
inferred← citeshttps://doi.org/10.3390/cryst9090478openalex-snapshot
Intermolecular Interactions in Functional Crystalline Materials: From Data to Knowledge
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