The Impact of Molecular Dynamics Sampling on the Performance of Virtual Screening against GPCRs-Reference-Cited by-同舟云学术

The Impact of Molecular Dynamics Sampling on the Performance of Virtual Screening against GPCRs

Published:2013-10-31 Issue:11 Volume:53 Page:2990-2999
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Tarcsay Ákos¹,Paragi Gábor²,Vass Márton¹,Jójárt Balázs³,Bogár Ferenc²,Keserű György M.¹

Affiliation:

1. Discovery Chemistry, Gedeon Richter plc., 19-21 Gyömrői út, H-1103 Budapest, Hungary

2. MTA-SZTE Supramolecular and Nanostructured Materials Research Group, Hungarian Academy of Sciences, University of Szeged, Dóm tér 8, H-6720, Szeged, Hungary

3. Department of Chemical Informatics, Faculty of Education, University of Szeged, Boldogasszony sgt. 6, Szeged H-6725, Hungary

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci400087b

Reference71 articles.

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5. Implications of protein flexibility for drug discovery

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