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Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities (Q71851460)

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scientific article published on 01 October 1996

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English	Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities	scientific article published on 01 October 1996

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8951652%20AND%20SRC:MED&resulttype=core&format=json

21 October 2019

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

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8951652%20AND%20SRC:MED&resulttype=core&format=json

21 October 2019

author name string

A N Jain

1

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8951652%20AND%20SRC:MED&resulttype=core&format=json

21 October 2019

publication date

1 October 1996

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8951652%20AND%20SRC:MED&resulttype=core&format=json

21 October 2019

language of work or name

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Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8951652%20AND%20SRC:MED&resulttype=core&format=json

21 October 2019

10

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8951652%20AND%20SRC:MED&resulttype=core&format=json

21 October 2019

5

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8951652%20AND%20SRC:MED&resulttype=core&format=json

21 October 2019

427-440

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8951652%20AND%20SRC:MED&resulttype=core&format=json

21 October 2019

A shape-based machine learning tool for drug design

1 reference

https://pubmed.ncbi.nlm.nih.gov/8951652

12 December 2020

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

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Binding to protein targets of peptidic leads discovered by phage display: crystal structures of streptavidin-bound linear and cyclic peptide ligands containing the HPQ sequence

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Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design

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The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

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Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches

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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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Directional hydrogen bonding to sp2- and sp3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions

1 reference

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5 March 2023

Identifiers

10.1007/BF00124474

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8951652%20AND%20SRC:MED&resulttype=core&format=json

21 October 2019

DBLP publication ID

journals/jcamd/Jain96

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8951652%20AND%20SRC:MED&resulttype=core&format=json

21 October 2019

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