(Q30847414)

English

Morphological similarity: a 3D molecular similarity method correlated with protein-ligand recognition

scientific article

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scholarly article

1 reference

Europe PubMed Central

27 June 2017

Morphological similarity: a 3D molecular similarity method correlated with protein-ligand recognition (English)

1 reference

Europe PubMed Central

27 June 2017

author name string

Jain AN

1

1 reference

Europe PubMed Central

27 June 2017

publication date

1 February 2000

1 reference

Europe PubMed Central

27 June 2017

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

27 June 2017

14

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Europe PubMed Central

27 June 2017

199-213

1 reference

Europe PubMed Central

27 June 2017

2

1 reference

Europe PubMed Central

27 June 2017

Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites.

1 reference

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Structural basis for chemical inhibition of CDK2.

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

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Molecular skins: a new concept for quantitative shape matching of a protein with its small molecule mimics

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

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Molecular shape comparison of angiotensin II receptor antagonists

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https://pubmed.ncbi.nlm.nih.gov/10721506

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IcePick: a flexible surface-based system for molecular diversity

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

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Automatic identification and representation of protein binding sites for molecular docking

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

12 December 2020

based on heuristic

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Molecular similarity based on DOCK-generated fingerprints

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

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Development and validation of a genetic algorithm for flexible docking

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

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A geometric approach to macromolecule-ligand interactions

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

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Bioisosterism as a molecular diversity descriptor: steric fields of single "topomeric" conformers.

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

12 December 2020

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FLEXS: a method for fast flexible ligand superposition.

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

12 December 2020

based on heuristic

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An automated method for predicting the positions of hydrogen-bonding atoms in binding sites

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

12 December 2020

based on heuristic

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Quantitative binding site model generation: compass applied to multiple chemotypes targeting the 5-HT1A receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

1 reference

https://pubmed.ncbi.nlm.nih.gov/10721506

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1023/A:1008100132405

1 reference

Europe PubMed Central

27 June 2017

DBLP publication ID

journals/jcamd/Jain00

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

0 references

1 reference

Europe PubMed Central

27 June 2017

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