ACS Omega
(Jul 2017)
Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking
- Haresh Ajani,
- Adam Pecina,
- Saltuk M. Eyrilmez,
- Jindřich Fanfrlík,
- Susanta Haldar,
- Jan Řezáč,
- Pavel Hobza,
- Martin Lepšík
Affiliations
- Haresh Ajani
- Department of Computational Chemistry, Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Praha 6, Czech Republic
- Adam Pecina
- Department of Computational Chemistry, Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Praha 6, Czech Republic
- Saltuk M. Eyrilmez
- Department of Computational Chemistry, Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Praha 6, Czech Republic
- Jindřich Fanfrlík
- Department of Computational Chemistry, Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Praha 6, Czech Republic
- Susanta Haldar
- Department of Computational Chemistry, Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Praha 6, Czech Republic
- Jan Řezáč
- Department of Computational Chemistry, Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Praha 6, Czech Republic
- Pavel Hobza
- Department of Computational Chemistry, Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Praha 6, Czech Republic
- Martin Lepšík
- Department of Computational Chemistry, Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Praha 6, Czech Republic
- DOI
-
https://doi.org/10.1021/acsomega.7b00503
- Journal volume & issue
-
Vol. 2,
no. 7
pp.
4022
– 4029
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