Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

105 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Machine learning for protein folding and dynamics.
Noé F, De Fabritiis G, Clementi C. Noé F, et al. Among authors: de fabritiis g. Curr Opin Struct Biol. 2020 Feb;60:77-84. doi: 10.1016/j.sbi.2019.12.005. Epub 2019 Dec 24. Curr Opin Struct Biol. 2020. PMID: 31881449 Review.
HTMD: High-Throughput Molecular Dynamics for Molecular Discovery.
Doerr S, Harvey MJ, Noé F, De Fabritiis G. Doerr S, et al. Among authors: de fabritiis g. J Chem Theory Comput. 2016 Apr 12;12(4):1845-52. doi: 10.1021/acs.jctc.6b00049. Epub 2016 Mar 16. J Chem Theory Comput. 2016. PMID: 26949976
Simulations meet machine learning in structural biology.
Pérez A, Martínez-Rosell G, De Fabritiis G. Pérez A, et al. Among authors: de fabritiis g. Curr Opin Struct Biol. 2018 Apr;49:139-144. doi: 10.1016/j.sbi.2018.02.004. Epub 2018 Feb 21. Curr Opin Struct Biol. 2018. PMID: 29477048 Review.
Machine Learning of Coarse-Grained Molecular Dynamics Force Fields.
Wang J, Olsson S, Wehmeyer C, Pérez A, Charron NE, de Fabritiis G, Noé F, Clementi C. Wang J, et al. Among authors: de fabritiis g. ACS Cent Sci. 2019 May 22;5(5):755-767. doi: 10.1021/acscentsci.8b00913. Epub 2019 Apr 15. ACS Cent Sci. 2019. PMID: 31139712 Free PMC article.
Coarse graining molecular dynamics with graph neural networks.
Husic BE, Charron NE, Lemm D, Wang J, Pérez A, Majewski M, Krämer A, Chen Y, Olsson S, de Fabritiis G, Noé F, Clementi C. Husic BE, et al. Among authors: de fabritiis g. J Chem Phys. 2020 Nov 21;153(19):194101. doi: 10.1063/5.0026133. J Chem Phys. 2020. PMID: 33218238 Free PMC article.
105 results