CoCo-MD: A Simple and Effective Method for the Enhanced Sampling of Conformational Space-Reference-Cited by-同舟云学术

CoCo-MD: A Simple and Effective Method for the Enhanced Sampling of Conformational Space

Author:

Shkurti Ardita¹,Styliari Ioanna Danai¹,Balasubramanian Vivek²,Bethune Iain³,Pedebos Conrado¹⁴,Jha Shantenu²,Laughton Charles A.¹^ORCID

Affiliation:

1. School of Pharmacy and Centre for Biomolecular Sciences, University of Nottingham, University Park, Nottingham NG7 2RD, U.K.

2. Department of Electrical and Computer Engineering, Rutgers University, Piscataway, New Jersey 08854, United States

3. EPCC, The University of Edinburgh, James Clerk Maxwell Building, Peter Guthrie Tait Road, Edinburgh EH9 3FD, U.K.

4. CAPES Foundation, Ministry of Education of Brazil, Brasília 70040, Brazil

Funder

National Science Foundation

Research Councils UK

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference40 articles.

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