Efficient free energy calculations by combining two complementary tempering sampling methods-Reference-Cited by-同舟云学术

Efficient free energy calculations by combining two complementary tempering sampling methods

Published:2017-01-14 Issue:2 Volume:146 Page:024103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Xie Liangxu¹^ORCID,Shen Lin¹,Chen Zhe-Ning¹²,Yang Mingjun¹

Affiliation:

1. Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, China

2. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Yangqiao West Road 155, Fuzhou, Fujian 350002, China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4973607

Reference79 articles.

1. Accounting for Receptor Flexibility and Enhanced Sampling Methods in Computer-Aided Drug Design

2. The new view of hydrophobic free energy

3. New Insights in Protein Kinase Conformational Dynamics

4. Perspective: Alchemical free energy calculations for drug discovery

5. Equilibrium Sampling in Biomolecular Simulations

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