Enhancing Coarse-Grained Models through Machine Learning

J Chem Inf Model. 2024 Apr 22;64(8):2931-2932. doi: 10.1021/acs.jcim.4c00537.

Authors

Tarak Karmakar¹, Thereza A Soares^{2

3}, Kenneth M Merz Jr⁴

Affiliations

¹ Department of Chemistry, Indian Institute of Technology, Delhi, Hauz Khas, New Delhi 110016, India.
² Department of Chemistry, FFCLRP, University of São Paulo, Ribeirão Preto 14040-901, Brazil.
³ Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, Oslo 0315, Norway.
⁴ Department of Chemistry, Michigan State University, Lansing 48824, Michigan, United States.

PMID: 38644772
DOI: 10.1021/acs.jcim.4c00537

No abstract available

Publication types

Editorial
Research Support, Non-U.S. Gov't

MeSH terms

Machine Learning*
Models, Molecular