Showing results (1-10 of 8) with videos related to
Sort By:
Pageof 1
Physical Chemistry Chemical Physics : PCCP|June 17, 2015
Discrete variable representation of the Smoluchowski equation using a sinc basis setAndrea Piserchia, Vincenzo BaroneJournal of Chemical Theory and Computation|July 13, 2016
Toward a General Yet Effective Computational Approach for Diffusive Problems: Variable Diffusion Tensor and DVR Solution of the Smoluchowski Equation along a General One-Dimensional CoordinateAndrea Piserchia, Vincenzo BaroneJournal of Chemical Theory and Computation|November 2, 2017
General Approach to Coupled Reactive Smoluchowski Equations: Integration and Application of Discrete Variable Representation and Generalized Coordinate Methods to Diffusive ProblemsAndrea Piserchia, Shiladitya Banerjee, Vincenzo BaronePhysical Chemistry Chemical Physics : PCCP|February 28, 2015
Probing the conformational energetics of alkyl thiols on gold surfaces by means of a morphing/steering non-equilibrium toolAndrea Piserchia, Mirco Zerbetto, Diego FrezzatoJournal of Computational Chemistry|August 5, 2014
Looking for some free energy? Call JEFREE (…)Mirco Zerbetto, Andrea Piserchia, Diego FrezzatoPhysical Chemistry Chemical Physics : PCCP|August 29, 2025
Molecular dynamics of space-confined water inside Span 80 reverse micelles with an all-atom and coarse-grained solventAndrea Piserchia, Sergio Rampino, Mirco Zerbetto, et al.The Journal of Physical Chemistry Letters|October 31, 2023
Intrinsic Flexibility beyond the Highly Ordered DNA Tetrahedron: An Integrative Spectroscopic and Molecular Dynamics ApproachMirco Zerbetto, Christine Saint-Pierre, Andrea Piserchia, et al.Journal of Chemical Theory and Computation|May 13, 2026
Molecular Dynamics Workflows to Compute Large-Scale Sets of Absolute Binding Free Energies Aiding Drug Candidate and Binding Pose SelectionSebastian Wingbermühle, Akash Deep Biswas, Domenico Bonanni, et al.Pageof 1