TAPS: A traveling-salesman based automated path searching method for functional conformational changes of biological macromolecules-Reference-Cited by-同舟云学术

TAPS: A traveling-salesman based automated path searching method for functional conformational changes of biological macromolecules

Published:2019-03-28 Issue:12 Volume:150 Page:124105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Zhu Lizhe¹²^ORCID,Sheong Fu Kit¹^ORCID,Cao Siqin¹^ORCID,Liu Song¹,Unarta Ilona C.¹,Huang Xuhui¹³⁴^ORCID

Affiliation:

1. Department of Chemistry, State Key Laboratory of Molecular Neuroscience, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong

2. Warshel Institute for Computational Biology, School of Life and Health Sciences, The Chinese University of Hong Kong (Shenzhen), Shenzhen, Guangdong 518172, China

3. Bioengineering Program, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong

4. HKUST-Shenzhen Research Institute, Hi-Tech Park, Nanshan, Shenzhen 518057, China

Funder

The Hong Kong Research Grant Conuncil

King Abdullah University of Science and Technology

Innovation and Technology Commission

Shenzhen Science and Technology Innovation Commission

Guangzhou Science, Technology and Innovation Commission

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5082633

Reference116 articles.

1. Discovering Mountain Passes via Torchlight: Methods for the Definition of Reaction Coordinates and Pathways in Complex Macromolecular Reactions

2. Path-sampling strategies for simulating rare events in biomolecular systems

3. TRANSITION PATH SAMPLING: Throwing Ropes Over Rough Mountain Passes, in the Dark

4. Investigating rare events by transition interface sampling

5. Rare events via multiple reaction channels sampled by path replica exchange

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