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Exploring the Catalytic Reaction of Cysteine Proteases.
Oanca G, Asadi M, Saha A, Ramachandran B, Warshel A. Oanca G, et al. J Phys Chem B. 2020 Dec 17;124(50):11349-11356. doi: 10.1021/acs.jpcb.0c08192. Epub 2020 Dec 2. J Phys Chem B. 2020. PMID: 33264018
Exploring the Proteolysis Mechanism of the Proteasomes.
Saha A, Oanca G, Mondal D, Warshel A. Saha A, et al. Among authors: oanca g. J Phys Chem B. 2020 Jul 9;124(27):5626-5635. doi: 10.1021/acs.jpcb.0c04435. Epub 2020 Jun 25. J Phys Chem B. 2020. PMID: 32498514 Free PMC article.
Efficient Empirical Valence Bond Simulations with GROMACS.
Oanca G, van der Ent F, Åqvist J. Oanca G, et al. J Chem Theory Comput. 2023 Sep 12;19(17):6037-6045. doi: 10.1021/acs.jctc.3c00714. Epub 2023 Aug 25. J Chem Theory Comput. 2023. PMID: 37623818 Free PMC article.
12 results