Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics-Reference-Cited by-同舟云学术

Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics

Published:2023-09-09 Issue:18 Volume:19 Page:6151-6159
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Arts Marloes¹^ORCID,Garcia Satorras Victor²,Huang Chin-Wei²,Zügner Daniel³,Federici Marco⁴,Clementi Cecilia³⁵^ORCID,Noé Frank³,Pinsler Robert⁶,van den Berg Rianne²^ORCID

Affiliation:

1. Department of Computer Science, University of Copenhagen, Universitetsparken 1, Copenhagen 2100, Denmark

2. AI4Science, Microsoft Research, Evert van de Beekstraat 354, Amsterdam 1118 CZ, The Netherlands

3. AI4Science, Microsoft Research, Karl-Liebknecht-Straße 32, Berlin 10178, Germany

4. Informatics Institute, University of Amsterdam, Science Park 904, Amsterdam 1098 XH, The Netherlands

5. Department of Physics, Freie Universität Berlin, Arnimalle 12, Berlin 14195, Germany

6. AI4Science, Microsoft Research, 21 Station Road, Cambridge CB1 2FB, U.K.

Funder

European Commission

Deutsche Forschungsgemeinschaft

Novo Nordisk Fonden

Einstein Stiftung Berlin

National Science Foundation

Berlin Mathematics Research Center MATH+

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00702

Reference51 articles.

1. Coarse-grained models of protein folding: toy models or predictive tools?

2. Perspective: Coarse-grained models for biomolecular systems

3. Coarse-Graining Methods for Computational Biology

4. Coarse-Grained Protein Models and Their Applications

5. The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations

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