Bayesian-Inference-Driven Model Parametrization and Model Selection for 2CLJQ Fluid Models-Reference-Cited by-同舟云学术

Bayesian-Inference-Driven Model Parametrization and Model Selection for 2CLJQ Fluid Models

Published:2022-02-07 Issue:4 Volume:62 Page:874-889
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Madin Owen C.¹^ORCID,Boothroyd Simon²^ORCID,Messerly Richard A.³,Fass Josh⁴,Chodera John D.⁵^ORCID,Shirts Michael R.¹^ORCID

Affiliation:

1. Department of Chemical & Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80309, United States

2. Boothroyd Scientific Consulting Ltd., 71-75 Shelton Street, London, Greater London, United Kingdom, WC2H 9JQ

3. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

4. Tri-Institutional PhD Program in Computational Biology and Medicine, Weill Cornell Graduate School of Medical Sciences, New York, New York 10065, United States

5. Computational & Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States

Funder

National Institute of General Medical Sciences

National Science Foundation

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/acs.jcim.1c00829

Reference80 articles.

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