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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: pawnikar s. 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.
Mechanism of Ligand Recognition by Human ACE2 Receptor.
Bhattarai A, Pawnikar S, Miao Y. Bhattarai A, et al. Among authors: pawnikar s. 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.
Mechanism of ligand recognition by human ACE2 receptor.
Bhattarai A, Pawnikar S, Miao Y. Bhattarai A, et al. Among authors: pawnikar s. 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 tethered agonist-mediated signaling by polycystin-1.
Pawnikar S, Magenheimer BS, Munoz EN, Maser RL, Miao Y. Pawnikar S, et al. Proc Natl Acad Sci U S A. 2022 May 10;119(19):e2113786119. doi: 10.1073/pnas.2113786119. Epub 2022 May 6. Proc Natl Acad Sci U S A. 2022. PMID: 35522707 Free PMC article.
FlavoDb: a web-based chemical repository of flavonoid compounds.
Kolte BS, Londhe SR, Bagul KT, Pawnikar SP, Goundge MB, Gacche RN, Meshram RJ. Kolte BS, et al. Among authors: pawnikar sp. 3 Biotech. 2019 Nov;9(11):431. doi: 10.1007/s13205-019-1962-7. Epub 2019 Oct 31. 3 Biotech. 2019. PMID: 31696036 Free PMC article.
15 results