DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment
Author:
Affiliation:
1. Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland
Funder
Eidgen?ssische Technische Hochschule Z?rich
Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung
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.3c00800
Reference62 articles.
1. Force Fields for Protein Simulations
2. Empirical force fields for biological macromolecules: Overview and issues
3. Potential energy functions for atomic-level simulations of water and organic and biomolecular systems
4. Thirty-five years of biomolecular simulation: development of methodology, force fields and software
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