Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge (Q34065423)

30 July 2017

Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge (English)

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30 July 2017

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1

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4 June 2020

Daniel N Santiago

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4 June 2020

author name string

Nanjie Deng

2

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4 June 2020

Peng He

3

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4 June 2020

Lauren Wickstrom

4

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4 June 2020

Alexander L Perryman

5

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4 June 2020

Stefano Forli

7

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4 June 2020

Arthur J Olson

8

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4 June 2020

Ronald M Levy

9

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4 June 2020

language of work or name

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7 February 2014

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Journal of Computer - Aided Molecular Design

30 July 2017

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4 June 2020

volume

28

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4 June 2020

page(s)

475-490

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4 June 2020

issue

4

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https://scigraph.springernature.com/pub.10.1007/s10822-014-9711-9

4 June 2020

exact match

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Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge

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28 July 2018

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28 October 2018

Identifiers

DOI

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journals/jcamd/GallicchioDHWPSFOL14

4 June 2020

DBLP publication ID

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DBLP Dataset 2021-01-02

28 January 2021

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4 June 2020

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