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Journal of Molecular Biology|October 6, 1995
Acid and thermal denaturation of barnase investigated by molecular dynamics simulationsA Caflisch, M KarplusProceedings of the National Academy of Sciences of the United States of America|March 1, 1994
Molecular dynamics simulation of protein denaturation: solvation of the hydrophobic cores and secondary structure of barnaseA Caflisch, M KarplusJournal of Molecular Graphics & Modelling|February 8, 2000
Solution conformation of phakellistatin 8 investigated by molecular dynamics simulationsO Galzitskaya, A CaflischJournal of Chemical Information and Modeling|September 19, 2018
In Silico Identification of JMJD3 Demethylase InhibitorsC Esposito, L Wiedmer, A CaflischThe Journal of Physical Chemistry. B|January 22, 2010
Slow folding of cross-linked alpha-helical peptides due to steric hindranceB Paoli, R Pellarin, A CaflischJournal of Molecular Graphics & Modelling|July 14, 2001
Hydrophobicity and functionality maps of farnesyltransferaseS Ahmed, N Majeux, A CaflischJournal of Chemical Theory and Computation|November 24, 2015
Mechanism and Kinetics of Acetyl-Lysine Binding to BromodomainsA Magno, S Steiner, A CaflischBiological Chemistry|November 2, 2001
Fragment-Based flexible ligand docking by evolutionary optimizationN Budin, N Majeux, A CaflischJournal of Medicinal Chemistry|July 23, 1993
Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinaseA Caflisch, A Miranker, M KarplusPageof 29