Showing results (2671-2680 of 4,071) with videos related to
Sort By:
Pageof 408
Journal of Molecular Graphics & Modelling|October 6, 2021
Does the reaction of nitrone derivatives with allenoates proceed by an initial (3 + 2) cycloaddition or O-Nucleophilic addition? A quantum chemical investigationAnthony Fosu, George Baffour Pipim, Richard Tia, et al.Journal of Molecular Graphics & Modelling|February 15, 2022
Structural dynamics of the cooperative binding of small inhibitors in human cytochrome P450 2C9Juan Cai, Rongwei ShiJournal of Molecular Graphics & Modelling|May 18, 2019
HQSAR and random forest-based QSAR models for anti-T. vaginalis activities of nitroimidazoles derivativesGabriel Corrêa Veríssimo, Evaldo Francisco Menezes Dutra, Anna Letícia Teotonio Dias, et al.Journal of Molecular Graphics & Modelling|April 23, 2019
Atomistic molecular dynamics simulations of the LCST conformational transition in poly(N-vinylcaprolactam) in waterOleksii S Zhelavskyi, Alexander KyrychenkoJournal of Molecular Graphics & Modelling|October 16, 2021
Small molecule interactions with the SARS-CoV-2 main protease: In silico all-atom microsecond MD simulations, PELE Monte Carlo simulations, and determination of in vitro activity inhibitionJulia Liang, Eleni Pitsillou, Katherine Ververis, et al.Journal of Molecular Graphics & Modelling|October 16, 2021
Proposal of selective inhibitor for bacterial zinc metalloprotease: Molecular mechanics and ab initio molecular orbital calculationsKyohei Imai, Ryosuke Saito, Takuya Ezawa, et al.Journal of Molecular Graphics & Modelling|February 12, 2022
Graph convolutional neural network applied to the prediction of normal boiling pointChen Qu, Anthony J Kearsley, Barry I Schneider, et al.Journal of Molecular Graphics & Modelling|January 22, 2022
PyProtModel: An easy to use GUI for comparative protein modelingMohsen Sisakht, Peyman Bemani, Mir Behrad Aghazadeh Ghadim, et al.Journal of Molecular Graphics & Modelling|January 23, 2022
How to control the acidity of 1,2,3-triazolium ions: A density functional theory studyNikolas D Wilson, Zongyao Wang, Benjamin W GungJournal of Molecular Graphics & Modelling|January 25, 2022
A comparative study of the wetting behaviors on a rutile TiO2 having different surface morphologiesS Mahmood Fatemi, Seyed Jamilaldin FatemiPageof 408