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Protein Science : a Publication of the Protein Society|July 24, 2003
Fast protein folding on downhill energy landscapeAndrea Cavalli, Urs Haberthür, Emanuele Paci, et al.Journal of Chemical Theory and Computation|July 14, 2021
Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free EnergyMartina Bertazzo, Dorothea Gobbo, Sergio Decherchi, et al.Mini Reviews in Medicinal Chemistry|June 25, 2016
Enzymatic and Inhibition Mechanism of Human Aromatase (CYP19A1) Enzyme. A Computational Perspective from QM/MM and Classical Molecular Dynamics SimulationsJacopo Sgrignani, Andrea Cavalli, Giorgio Colombo, et al.Contributions to Nephrology|December 23, 2011
The Membrane Permeability Outcome studyFrancesco Locatelli, Andrea Cavalli, Celestina Manzoni, et al.The Journal of Physical Chemistry Letters|April 20, 2017
Single or Multiple Access Channels to the CYP450s Active Site? An Answer from Free Energy Simulations of the Human Aromatase EnzymeAlessandra Magistrato, Jacopo Sgrignani, Rolf Krause, et al.Molecules (Basel, Switzerland)|April 16, 2020
How Computational Chemistry and Drug Delivery Techniques Can Support the Development of New Anticancer DrugsMariangela Garofalo, Giovanni Grazioso, Andrea Cavalli, et al.Journal of Chemical Theory and Computation|January 20, 2018
Fast Dynamic Docking Guided by Adaptive Electrostatic Bias: The MD-Binding ApproachAndrea Spitaleri, Sergio Decherchi, Andrea Cavalli, et al.Science Advances|February 5, 2016
Metainference: A Bayesian inference method for heterogeneous systemsMassimiliano Bonomi, Carlo Camilloni, Andrea Cavalli, et al.The Journal of Physical Chemistry Letters|July 14, 2016
Atomic-Level Characterization of the Chain-Flipping Mechanism in Fatty-Acids BiosynthesisFrancesco Colizzi, Matteo Masetti, Maurizio Recanatini, et al.Annual Review of Physical Chemistry|February 21, 2019
Kinetics of Drug Binding and Residence TimeMattia Bernetti, Matteo Masetti, Walter Rocchia, et al.Pageof 44