Trajectory Statistical Learning of the Potential Mean of Force and Diffusion Coefficient from Molecular Dynamics Simulations

Author:

Chen Yi-Tsao1ORCID,Yang Haw2ORCID,Chu Jhih-Wei3ORCID

Affiliation:

1. Institute of Bioinformatics and Systems Biology, National Yang Ming Chiao Tung University, Hsinchu 30010, Taiwan, Republic of China

2. Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States

3. Institute of Bioinformatics and Systems Biology, Department of Biological Science and Technology, Institute of Molecular Medicine and Bioengineering, and Center for Intelligent Drug Systems and Smart Bio-Devices (IDS2B), National Yang Ming Chiao Tung University, Hsinchu 30010, Taiwan, Republic of China

Funder

National Science and Technology Council

Ministry of Education, Taiwan

Publisher

American Chemical Society (ACS)

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