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Journal of Molecular Graphics & Modelling|June 7, 2005
Implementation of the bisection sampling method in path integral simulationsDan Thomas Major, Jiali GaoJournal of Molecular Graphics & Modelling|May 24, 2005
Molecular dynamics simulations for selection of kinetic hydrate inhibitorsBjørn Kvamme, Tatyana Kuznetsova, Kjetil AasoldsenJournal of Molecular Graphics & Modelling|May 10, 2005
Predictive Bayesian neural network models of MHC class II peptide bindingFrank R Burden, David A WinklerJournal of Molecular Graphics & Modelling|June 24, 2006
Wave function analysis of MHC-peptide interactionsConstanza Cárdenas, Mateo Obregón, Alejandro Balbín, et al.Journal of Molecular Graphics & Modelling|October 3, 2006
Three hydrolases and a transferase: comparative analysis of active-site dynamics via the BioSimGrid databaseKaihsu Tai, Marc Baaden, Stuart Murdock, et al.Journal of Molecular Graphics & Modelling|October 5, 2006
3D-QSAR and molecular docking studies on pyrazolopyrimidine derivatives as glycogen synthase kinase-3beta inhibitorsNigus Dessalew, Dhilon S Patel, Prasad V BharatamJournal of Molecular Graphics & Modelling|May 8, 2007
From diatomics to drugs and dividendsW Graham RichardsJournal of Molecular Graphics & Modelling|December 4, 2022
Piperidine-based natural products targeting Type IV pili antivirulence: A computational approachAslihan Ozcan, Ozlem Keskin, Berna Sariyar Akbulut, et al.Journal of Molecular Graphics & Modelling|June 5, 2021
Multiple machine learning models combined with virtual screening and molecular docking to identify selective human ALDH1A1 inhibitorsGera Narendra, Baddipadige Raju, Himanshu Verma, et al.Journal of Molecular Graphics & Modelling|December 16, 2022
Structural basis of Nrf2 activation by flavonolignans from silymarinMartiniano BelloPageof 401