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European Journal of Medicinal Chemistry|September 7, 2014
Implicit solvent methods for free energy estimationSergio Decherchi, Matteo Masetti, Ivan Vyalov, et al.The Journal of Chemical Physics|March 24, 2018
Including diverging electrostatic potential in 3D-RISM theory: The charged wall caseIvan Vyalov, Walter RocchiaIEEE Transactions on Neural Networks and Learning Systems|April 20, 2016
Import Vector Domain Description: A Kernel Logistic One-Class Learning AlgorithmSergio Decherchi, Walter RocchiaPlos One|April 12, 2013
A general and robust ray-casting-based algorithm for triangulating surfaces at the nanoscaleSergio Decherchi, Walter RocchiaFrontiers in Bioscience (Landmark Edition)|January 7, 2014
Molecular mechanics and dynamics: numerical tools to sample the configuration spaceMatteo Masetti, Walter RocchiaIEEE Transactions on Neural Networks and Learning Systems|January 1, 2019
Finding Principal Paths in Data SpaceMarco Jacopo Ferrarotti, Walter Rocchia, Sergio DecherchiJournal 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.Bioinformatics (Oxford, England)|September 1, 2018
NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systemsSergio Decherchi, Andrea Spitaleri, John Stone, et al.Journal of Chemical Theory and Computation|December 14, 2016
Probing Hydration Patterns in Class-A GPCRs via Biased MD: The A2A ReceptorSyeda Rehana Zia, Roberto Gaspari, Sergio Decherchi, 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 15