Accelerated Conformational Entropy Calculations Using Graphic Processing Units-Reference-Cited by-同舟云学术

Accelerated Conformational Entropy Calculations Using Graphic Processing Units

Published:2013-08-01 Issue:8 Volume:53 Page:2057-2064
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Zhang Qian¹,Wang Junmei²,Guerrero Ginés D.³,Cecilia José M.⁴,García José M.³,Li Youyong¹,Pérez-Sánchez Horacio⁴,Hou Tingjun¹²

Affiliation:

1. Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu 215123, China

2. College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang 310058, China

3. Computer Engineering Department, School of Computer Science, 30100 University of Murcia, Spain

4. Computer Science Department, 30107 Catholic University of Murcia (UCAM), Spain

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/ci400263t

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5. Insights into Protein–Protein Binding by Binding Free Energy Calculation and Free Energy Decomposition for the Ras–Raf and Ras–RalGDS Complexes

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