Prediction of Protein–Ligand Binding Pose and Affinity Using the gREST+FEP Method-Reference-Cited by-同舟云学术

Prediction of Protein–Ligand Binding Pose and Affinity Using the gREST+FEP Method

Published:2020-07-31 Issue:11 Volume:60 Page:5382-5394
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Oshima Hiraku¹^ORCID,Re Suyong¹^ORCID,Sugita Yuji¹²³^ORCID

Affiliation:

1. Laboratory for Biomolecular Function Simulation, RIKEN Center for Biosystems Dynamics Research, Integrated Innovation Building 7F, 6-7-1 minatojima-minamimachi, Chuo-ku, Kobe, Hyogo 650-0047, Japan

2. Theoretical Molecular Science Laboratory, RIKEN Cluster for Pioneering Research, 2-1 Hirosawa, Wako-shi, Saitama 351-0198, Japan

3. Computational Biophysics Research Team, RIKEN Center for Computational Science, Integrated Innovation Building 7F, 6-7-1 minatojima-minamimachi, Chuo-ku, Kobe, Hyogo 650-0047, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

RIKEN

Japan Society for the Promotion of Science

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/acs.jcim.0c00338

Reference64 articles.

1. Sensitivity in Binding Free Energies Due to Protein Reorganization