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Graph-Based Molecular Alignment (GMA)

https://doi.org/10.1021/ci600387r
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What this work says

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

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An alternative method for the alignment of molecular structures: Maximizing electrostatic and steric overlap
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Scaffold Hopping Using Clique Detection Applied to Reduced Graphs
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A Robust Clustering Method for Chemical Structures
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Feature trees: A new molecular similarity measure based on tree matching
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Fast 3D molecular superposition and similarity search in databases of flexible molecules
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A solution for the best rotation to relate two sets of vectors

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9781118098141.ch11openalex-snapshot
Selective Optimization of Side Activities (SOSA): A Promising way for Drug Discovery
inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/9783527633326.ch5openalex-snapshot
Pharmacophore Models for Virtual Screening
inferred← citeshttps://doi.org/10.1002/med.21995openalex-snapshot
Advances in machine intelligence‐driven virtual screening approaches for big‐data
inferred← citeshttps://doi.org/10.1002/minf.201000022openalex-snapshot
Pharmacophores in Drug Research
inferred← citeshttps://doi.org/10.1002/wcms.1640openalex-snapshot
Small molecule superposition: A comprehensive overview on pose scoring of the latest methods
inferred← citeshttps://doi.org/10.1007/978-3-031-21534-6openalex-snapshot
Algorithms for Big Data
inferred← citeshttps://doi.org/10.1007/978-3-031-21534-6_5openalex-snapshot
Graph-Based Methods for Rational Drug Design
inferred← citeshttps://doi.org/10.1007/978-981-99-2423-3_6openalex-snapshot
Drug Design Methods to Regulate Protein–Protein Interactions
inferred← citeshttps://doi.org/10.1007/s10822-012-9573-yopenalex-snapshot
Development and validation of an improved algorithm for overlaying flexible molecules
inferred← citeshttps://doi.org/10.1007/s10822-014-9813-4openalex-snapshot
Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling
inferred← citeshttps://doi.org/10.1007/s10822-024-00581-1openalex-snapshot
Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays
inferred← citeshttps://doi.org/10.1007/s10969-016-9209-xopenalex-snapshot
Classification of ligand molecules in PDB with graph match-based structural superposition
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/b978-0-12-809633-8.20195-7openalex-snapshot
Chemical Similarity and Substructure Searches
inferred← citeshttps://doi.org/10.1016/b978-0-12-821748-1.00009-9openalex-snapshot
Advances in structure-based drug design
inferred← citeshttps://doi.org/10.1016/b978-0-323-95502-7.00048-8openalex-snapshot
Chemical Similarity and Substructure Searches
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.jmb.2012.10.001openalex-snapshot
Classification of Ligand Molecules in PDB with Fast Heuristic Graph Match Algorithm COMPLIG
inferred← citeshttps://doi.org/10.1016/j.tips.2014.12.001openalex-snapshot
Beware of docking!
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Disconnected Maximum Common Substructures under Constraints
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Efficient Heuristics for Maximum Common Substructure Search
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00142openalex-snapshot
POSIT: Flexible Shape-Guided Docking For Pose Prediction
inferred← citeshttps://doi.org/10.1021/ci100227hopenalex-snapshot
Training a Scoring Function for the Alignment of Small Molecules
inferred← citeshttps://doi.org/10.1021/ci100235nopenalex-snapshot
Comprehensive Structural and Functional Characterization of the Human Kinome by Protein Structure Modeling and Ligand Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci2001023openalex-snapshot
Build-Up Algorithm for Atomic Correspondence between Chemical Structures
inferred← citeshttps://doi.org/10.1021/ci500006dopenalex-snapshot
3D Flexible Alignment Using 2D Maximum Common Substructure: Dependence of Prediction Accuracy on Target-Reference Chemical Similarity
inferred← citeshttps://doi.org/10.1021/ci7001236openalex-snapshot
GlamDock: Development and Validation of a New Docking Tool on Several Thousand Protein−Ligand Complexes
inferred← citeshttps://doi.org/10.1021/ci700124ropenalex-snapshot
Similarity Based Docking
inferred← citeshttps://doi.org/10.1021/ci7001878openalex-snapshot
Graph Theoretical Similarity Approach To Compare Molecular Electrostatic Potentials
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/ci7004324openalex-snapshot
Automatic Determination of Reaction Mappings and Reaction Center Information. 1. The Imaginary Transition State Energy Approach
inferred← citeshttps://doi.org/10.1021/ci8004463openalex-snapshot
Flexible Alignment of Small Molecules Using the Penalty Method
inferred← citeshttps://doi.org/10.1021/jm900817uopenalex-snapshot
Three-Dimensional Pharmacophore Methods in Drug Discovery
inferred← citeshttps://doi.org/10.1021/jm900818sopenalex-snapshot
Molecular Shape and Medicinal Chemistry: A Perspective
inferred← citeshttps://doi.org/10.1039/9781849735377-00151openalex-snapshot
Pharmacophore Models in Drug Design
inferred← citeshttps://doi.org/10.1039/b707856kopenalex-snapshot
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inferred← citeshttps://doi.org/10.1093/bioinformatics/btp549openalex-snapshot
Automatic assignment of reaction operators to enzymatic reactions
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2007.00605.xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1186/1752-153x-1-29openalex-snapshot
On the ease of predicting the thermodynamic properties of beta-cyclodextrin inclusion complexes
inferred← citeshttps://doi.org/10.15476/elte.2019.029openalex-snapshot
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inferred← citeshttps://doi.org/10.2741/3788openalex-snapshot
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inferred← citeshttps://doi.org/10.3390/molecules25204723openalex-snapshot
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inferred← citeshttps://doi.org/10.35652/igjps.2022.12006openalex-snapshot
A Review on Computational Software Tools for Drug Design and Discovery
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