Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking-Reference-Cited by-同舟云学术

Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking

Published:2017-07-27 Issue:7 Volume:2 Page:4022-4029
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Ajani Haresh¹²,Pecina Adam¹,Eyrilmez Saltuk M.¹²,Fanfrlík Jindřich¹,Haldar Susanta¹,Řezáč Jan¹^ORCID,Hobza Pavel¹³^ORCID,Lepšík Martin¹^ORCID

Affiliation:

1. Department of Computational Chemistry, Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, v.v.i., Flemingovo nam. 2, 16610 Praha 6, Czech Republic

2. Department of Physical Chemistry, Palacký University, tř. 17. listopadu 1192/12, 77146 Olomouc, Czech Republic

3. Department of Physical Chemistry, Regional Centre of Advanced Technologies and Materials, Palacký University, 77146 Olomouc, Czech Republic

Funder

Ministerstvo Školství, Mládeže a Telovýchovy

Grantová Agentura Ceské Republiky

Ústav organické chemie a biochemie, Akademie ved Ceské Republiky

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.7b00503

Reference74 articles.

1. Virtual screening: an endless staircase?

2. Docking Screens for Novel Ligands Conferring New Biology

3. Comparative Assessment of Scoring Functions on a Diverse Test Set

4. Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

5. Challenges and advances in computational docking: 2009 in review

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