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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: bhattarai a. 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.
Mechanisms of γ-Secretase Activation and Substrate Processing.
Bhattarai A, Devkota S, Bhattarai S, Wolfe MS, Miao Y. Bhattarai A, et al. Among authors: bhattarai s. ACS Cent Sci. 2020 Jun 24;6(6):969-983. doi: 10.1021/acscentsci.0c00296. Epub 2020 Jun 4. ACS Cent Sci. 2020. PMID: 32607444 Free PMC article.
Mechanism of ligand recognition by human ACE2 receptor.
Bhattarai A, Pawnikar S, Miao Y. Bhattarai A, et al. bioRxiv [Preprint]. 2020 Nov 1:2020.10.30.362749. doi: 10.1101/2020.10.30.362749. bioRxiv. 2020. PMID: 33140043 Free PMC article. Updated. Preprint.
Mechanism of Ligand Recognition by Human ACE2 Receptor.
Bhattarai A, Pawnikar S, Miao Y. Bhattarai A, et al. J Phys Chem Lett. 2021 May 27;12(20):4814-4822. doi: 10.1021/acs.jpclett.1c01064. Epub 2021 May 17. J Phys Chem Lett. 2021. PMID: 33999630 Free PMC article.
Positive allosteric mechanisms of adenosine A1 receptor-mediated analgesia.
Draper-Joyce CJ, Bhola R, Wang J, Bhattarai A, Nguyen ATN, Cowie-Kent I, O'Sullivan K, Chia LY, Venugopal H, Valant C, Thal DM, Wootten D, Panel N, Carlsson J, Christie MJ, White PJ, Scammells P, May LT, Sexton PM, Danev R, Miao Y, Glukhova A, Imlach WL, Christopoulos A. Draper-Joyce CJ, et al. Among authors: bhattarai a. Nature. 2021 Sep;597(7877):571-576. doi: 10.1038/s41586-021-03897-2. Epub 2021 Sep 8. Nature. 2021. PMID: 34497422 Free PMC article.
349 results