(Q44012277)

28 November 2017

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments (English)

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28 November 2017

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G Madhavi Sastry

1

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28 November 2017

Matvey Adzhigirey

2

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28 November 2017

Tyler Day

3

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28 November 2017

Ramakrishna Annabhimoju

4

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28 November 2017

Woody Sherman

5

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28 November 2017

1 March 2013

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Journal of Computer - Aided Molecular Design

28 November 2017

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28 November 2017

27

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28 November 2017

3

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28 November 2017

221-234

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https://scigraph.springernature.com/pub.10.1007/s10822-013-9644-8

28 November 2017

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12 December 2020

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12 December 2020

Discovery of the catechol structural moiety as a Stat3 SH2 domain inhibitor by virtual screening

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12 December 2020

Automated docking of substrates to proteins by simulated annealing

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12 December 2020

Type II kinase inhibitors show an unexpected inhibition mode against Parkinson's disease-linked LRRK2 mutant G2019S.

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12 December 2020

Comparison of automated docking programs as virtual screening tools

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12 December 2020

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12 December 2020

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12 December 2020

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12 December 2020

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12 December 2020

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12 December 2020

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12 December 2020

Detailed analysis of scoring functions for virtual screening

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12 December 2020

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12 December 2020

Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.

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12 December 2020

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists

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12 December 2020

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12 December 2020

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12 December 2020

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12 December 2020

Computer-aided drug design of falcipain inhibitors: virtual screening, structure-activity relationships, hydration site thermodynamics, and reactivity analysis

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12 December 2020

Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitors

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12 December 2020

10.1007/S10822-013-9644-8

Identifiers

DOI

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journals/jcamd/SastryADAS13

28 November 2017

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DBLP Dataset 2021-01-02

28 January 2021

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