(Q71851460)

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

21 October 2019

title

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

1 reference

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

series ordinal

1

1 reference

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

1 reference

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

Journal of Computer - Aided Molecular Design

21 October 2019

published in

1 reference

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

21 October 2019

volume

10

1 reference

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

21 October 2019

issue

5

1 reference

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

21 October 2019

page(s)

427-440

1 reference

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

https://scigraph.springernature.com/pub.10.1007/bf00124474

21 October 2019

exact match

0 references

cites work

A shape-based machine learning tool for drug design

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

Compass: predicting biological activities from molecular surface properties. Performance comparisons on a steroid benchmark

1 reference

12 December 2020

Inhibition of the fusion-inducing conformational change of influenza hemagglutinin by benzoquinones and hydroquinones

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

Structure-based inhibitor design by using protein models for the development of antiparasitic agents

1 reference

12 December 2020

Structure-based discovery of inhibitors of thymidylate synthase

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/JA00316A034

5 March 2023

Identifiers

DOI

10.1007/BF00124474

1 reference

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

1 reference