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Gaussian accelerated molecular dynamics (GaMD): principles and applications.
Wang J, Arantes PR, Bhattarai A, Hsu RV, Pawnikar S, Huang YM, Palermo G, Miao Y. Wang J, et al. Among authors: arantes pr. Wiley Interdiscip Rev Comput Mol Sci. 2021 Sep-Oct;11(5):e1521. doi: 10.1002/wcms.1521. Epub 2021 Mar 1. Wiley Interdiscip Rev Comput Mol Sci. 2021. PMID: 34899998 Free PMC article.
Establishing the allosteric mechanism in CRISPR-Cas9.
Nierzwicki Ł, Arantes PR, Saha A, Palermo G. Nierzwicki Ł, et al. Among authors: arantes pr. Wiley Interdiscip Rev Comput Mol Sci. 2021 May-Jun;11(3):e1503. doi: 10.1002/wcms.1503. Epub 2020 Oct 26. Wiley Interdiscip Rev Comput Mol Sci. 2021. PMID: 34322166 Free PMC article.
Fighting COVID-19 Using Molecular Dynamics Simulations.
Arantes PR, Saha A, Palermo G. Arantes PR, et al. ACS Cent Sci. 2020 Oct 28;6(10):1654-1656. doi: 10.1021/acscentsci.0c01236. Epub 2020 Oct 12. ACS Cent Sci. 2020. PMID: 33140032 Free PMC article. No abstract available.
Role of Electrostatic Hotspots in the Selectivity of Complement Control Proteins Toward Human and Bovine Complement Inhibition.
Narkhede YB, Gautam AK, Hsu RV, Rodriguez W, Zewde NT, Harrison RES, Arantes PR, Gaieb Z, Gorham RD Jr, Kieslich C, Morikis D, Sahu A, Palermo G. Narkhede YB, et al. Among authors: arantes pr. Front Mol Biosci. 2021 Mar 16;8:618068. doi: 10.3389/fmolb.2021.618068. eCollection 2021. Front Mol Biosci. 2021. PMID: 33829039 Free PMC article.
Structural Basis for Reduced Dynamics of Three Engineered HNH Endonuclease Lys-to-Ala Mutants for the Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-Associated 9 (CRISPR/Cas9) Enzyme.
Wang J, Skeens E, Arantes PR, Maschietto F, Allen B, Kyro GW, Lisi GP, Palermo G, Batista VS. Wang J, et al. Among authors: arantes pr. Biochemistry. 2022 May 3;61(9):785-794. doi: 10.1021/acs.biochem.2c00127. Epub 2022 Apr 14. Biochemistry. 2022. PMID: 35420793 Free PMC article.
48 results