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Journal of the American Chemical Society|April 4, 2002
Enzymatic GTP hydrolysis: insights from an ab initio molecular dynamics studyAndrea Cavalli, Paolo CarloniChemmedchem|April 11, 2016
Multitarget Drug Discovery and PolypharmacologyMaria Laura Bolognesi, Andrea CavalliProceedings of the National Academy of Sciences of the United States of America|July 10, 2019
Dynamic graphical models of molecular kineticsSimon Olsson, Frank NoéJournal of the American Chemical Society|December 14, 2016
Mechanistic Models of Chemical Exchange Induced Relaxation in Protein NMRSimon Olsson, Frank NoéMedicinal Research Reviews|April 5, 2002
Nonsteroidal aromatase inhibitors: recent advancesMaurizio Recanatini, Andrea Cavalli, Piero ValentiThe Journal of Physical Chemistry. B|January 19, 2013
Assessment of the use of NMR chemical shifts as replica-averaged structural restraints in molecular dynamics simulations to characterize the dynamics of proteinsCarlo Camilloni, Andrea Cavalli, Michele VendruscoloMethods in Molecular Biology (Clifton, N.J.)|December 21, 2011
Application of conformational clustering in protein-ligand dockingGiovanni Bottegoni, Walter Rocchia, Andrea CavalliThe Journal of Physical Chemistry. B|June 30, 2025
Binding Free Energy Calculations Based on the Path Collective Variable along a String PathwayAlessia Ghidini, Andrea Cavalli, Benoît RouxJournal of Chemical Information and Modeling|March 28, 2006
A comparative study on the application of hierarchical-agglomerative clustering approaches to organize outputs of reiterated docking runsGiovanni Bottegoni, Andrea Cavalli, Maurizio RecanatiniProteins|April 12, 2002
Weak temperature dependence of the free energy surface and folding pathways of structured peptidesAndrea Cavalli, Philippe Ferrara, Amedeo CaflischPageof 44