Biomolecular simulations at the exascale: From drug design to organelles and beyond-Reference-Cited by-同舟云学术

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Biomolecular simulations at the exascale: From drug design to organelles and beyond

Published:2024-10 Issue: Volume:88 Page:102887
ISSN:0959-440X
Container-title:Current Opinion in Structural Biology
language:en
Short-container-title:Current Opinion in Structural Biology

Author:

Gapsys Vytautas^ORCID,Kopec Wojciech,Matthes Dirk,de Groot Bert L.^ORCID

Funder

Max Planck Society

Publisher

Elsevier BV

Reference45 articles.

1. Bio-molecular dynamics comes of age;Herman;Science,1996

2. Dynamics of folded proteins;Andrew McCammon;Nature,1977

3. SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome;Zimmerman;Nat Chem,2021

4. Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms;Schade;Parallel Comput,2022

5. The science events to watch for in 2024;Naddaf;Nature,2024

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