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A community effort in SARS-CoV-2 drug discovery.
Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14.
Mol Inform. 2024.
PMID: 37833243
Free article.
Multiscale Approach for Computing Gated Ligand Binding from Molecular Dynamics and Brownian Dynamics Simulations.
Sadiq SK, Muñiz Chicharro A, Friedrich P, Wade RC.
Sadiq SK, et al. Among authors: muniz chicharro a.
J Chem Theory Comput. 2021 Dec 14;17(12):7912-7929. doi: 10.1021/acs.jctc.1c00673. Epub 2021 Nov 5.
J Chem Theory Comput. 2021.
PMID: 34739248
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