Showing results (11-20 of 21) with videos related to
Sort By:
Pageof 3
Future Medicinal Chemistry|January 28, 2020
Performance of radial distribution function-based descriptors in the chemoinformatic studies of HIV-1 proteaseJurica Novak, Maria A Grishina, Vladimir A Potemkin, et al.Future Medicinal Chemistry|April 13, 2021
Complementarity principle in terms of electron density for the study of EGFR complexesShivananda Kandagalla, Hrvoje Rimac, Vladimir A Potemkin, et al.Journal of Computational Chemistry|December 19, 2022
The design of compounds with desirable properties - The anti-HIV case studyJurica Novak, Prateek Pathak, Maria A Grishina, et al.Acta Crystallographica. Section B, Structural Science|January 20, 2007
Determination of covalent bond orders and atomic valence indices using topological features of the experimental electron densityVladimir G Tsirelson, Ekaterina V Bartashevich, Adam I Stash, et al.Future Medicinal Chemistry|January 8, 2021
Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product databaseJurica Novak, Hrvoje Rimac, Shivananda Kandagalla, et al.Journal of Chemical Information and Modeling|August 11, 2012
ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactionsIurii Sushko, Elena Salmina, Vladimir A Potemkin, et al.Bioimpacts : BI|September 22, 2023
Platinum(IV) compounds as potential drugs: a quantitative structure-activity relationship studyJurica Novak, Alena R Zykova, Vladimir A Potemkin, et al.Journal of Biomolecular Structure & Dynamics|October 18, 2021
Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble dockingShivananda Kandagalla, Jurica Novak, Sharath Belenahalli Shekarappa, et al.Journal of Molecular Graphics & Modelling|September 26, 2020
Computational insights into the binding mode of curcumin analogues against EP300 HAT domain as potent acetyltransferase inhibitorsShivananda Kandagalla, Sharath Belenahalli Shekarappa, Hrvoje Rimac, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 1, 2011
Compressibility of gas hydratesAndrey Yu Manakov, Anna Yu Likhacheva, Vladimir A Potemkin, et al.Pageof 3