Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Piero Procacci

Showing results (1-10 of 87) with videos related to

Pageof 9
Sort By:
Physical Chemistry Chemical Physics : PCCP|June 19, 2019
Solvation free energies via alchemical simulations: let's get honest about sampling, once morePiero Procacci
Journal of Computer-Aided Molecular Design|April 12, 2020
A remark on the efficiency of the double-system/single-box nonequilibrium approach in the SAMPL6 SAMPLing challengePiero Procacci
The Journal of Chemical Physics|April 24, 2015
Unbiased free energy estimates in fast nonequilibrium transformations using Gaussian mixturesPiero Procacci
Journal of Chemical Theory and Computation|June 7, 2018
Myeloid Cell Leukemia 1 Inhibition: An in Silico Study Using Non-equilibrium Fast Double Annihilation TechnologyPiero Procacci
Journal of Computational Chemistry|May 14, 2025
PDBrestore: A Free Web Interface for Processing and Fixing Protein Chains From Raw PDB FilesPiero Procacci
Physical Chemistry Chemical Physics : PCCP|May 20, 2016
I. Dissociation free energies of drug-receptor systems via non-equilibrium alchemical simulations: a theoretical frameworkPiero Procacci
Journal of Chemical Information and Modeling|May 28, 2016
Hybrid MPI/OpenMP Implementation of the ORAC Molecular Dynamics Program for Generalized Ensemble and Fast Switching Alchemical SimulationsPiero Procacci
Journal of Molecular Graphics & Modelling|December 17, 2016
Alchemical determination of drug-receptor binding free energy: Where we stand and where we could move toPiero Procacci
Journal of Chemical Theory and Computation|December 1, 2023
Dealing with Induced Fit, Conformational Selection, and Secondary Poses in Molecular Dynamics Simulations for Reliable Free Energy PredictionsPiero Procacci
The Journal of Chemical Physics|October 17, 2019
Precision and computational efficiency of nonequilibrium alchemical methods for computing free energies of solvation. II. Unidirectional estimatesPiero Procacci
Pageof 9

Showing results (1-10 of 87) with videos related to

Sort By:
Pageof 9
Physical Chemistry Chemical Physics : PCCP|June 19, 2019
Solvation free energies via alchemical simulations: let's get honest about sampling, once morePiero Procacci
Journal of Computer-Aided Molecular Design|April 12, 2020
A remark on the efficiency of the double-system/single-box nonequilibrium approach in the SAMPL6 SAMPLing challengePiero Procacci
The Journal of Chemical Physics|April 24, 2015
Unbiased free energy estimates in fast nonequilibrium transformations using Gaussian mixturesPiero Procacci
Journal of Chemical Theory and Computation|June 7, 2018
Myeloid Cell Leukemia 1 Inhibition: An in Silico Study Using Non-equilibrium Fast Double Annihilation TechnologyPiero Procacci
Journal of Computational Chemistry|May 14, 2025
PDBrestore: A Free Web Interface for Processing and Fixing Protein Chains From Raw PDB FilesPiero Procacci
Physical Chemistry Chemical Physics : PCCP|May 20, 2016
I. Dissociation free energies of drug-receptor systems via non-equilibrium alchemical simulations: a theoretical frameworkPiero Procacci
Journal of Chemical Information and Modeling|May 28, 2016
Hybrid MPI/OpenMP Implementation of the ORAC Molecular Dynamics Program for Generalized Ensemble and Fast Switching Alchemical SimulationsPiero Procacci
Journal of Molecular Graphics & Modelling|December 17, 2016
Alchemical determination of drug-receptor binding free energy: Where we stand and where we could move toPiero Procacci
Journal of Chemical Theory and Computation|December 1, 2023
Dealing with Induced Fit, Conformational Selection, and Secondary Poses in Molecular Dynamics Simulations for Reliable Free Energy PredictionsPiero Procacci
The Journal of Chemical Physics|October 17, 2019
Precision and computational efficiency of nonequilibrium alchemical methods for computing free energies of solvation. II. Unidirectional estimatesPiero Procacci
Pageof 9