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Piero Procacci

Journal of computational chemistry

Showing results (1-10 of 7) with videos related to

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Journal of Computational Chemistry|May 14, 2025
PDBrestore: A Free Web Interface for Processing and Fixing Protein Chains From Raw PDB FilesPiero Procacci
Journal of Computational Chemistry|May 28, 2016
Reformulating the entropic contribution in molecular docking scoring functionsPiero Procacci
Journal of Computational Chemistry|June 19, 2026
PrimaDORAC: An improved Web Interface for Rapid GAFF2 Parameter Assignment with ABCG2 Charge Models for Drug Design ApplicationsPiero Procacci
Journal of Computational Chemistry|January 27, 2023
NE-RDFE: A protocol and toolkit for computing relative dissociation free energies with GROMACS between dissimilar molecules using bidirectional nonequilibrium dual topology schemesMarina Macchiagodena, Marco Pagliai, Piero Procacci
Journal of Computational Chemistry|December 24, 2002
An ab initio force field for the cofactors of bacterial photosynthesisMatteo Ceccarelli, Piero Procacci, Massimo Marchi
Journal of Computational Chemistry|October 14, 2009
ORAC: a molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic levelSimone Marsili, Giorgio Federico Signorini, Riccardo Chelli, et al.
Journal of Computational Chemistry|June 13, 2025
Development of a New AMBER Force Field for Cysteine and Histidine Cadmium-Binding Proteins and Its Validation Through QM/MM MD SimulationsMatteo Orlandi, Marina Macchiagodena, Piero Procacci, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
Journal of Computational Chemistry|May 14, 2025
PDBrestore: A Free Web Interface for Processing and Fixing Protein Chains From Raw PDB FilesPiero Procacci
Journal of Computational Chemistry|May 28, 2016
Reformulating the entropic contribution in molecular docking scoring functionsPiero Procacci
Journal of Computational Chemistry|June 19, 2026
PrimaDORAC: An improved Web Interface for Rapid GAFF2 Parameter Assignment with ABCG2 Charge Models for Drug Design ApplicationsPiero Procacci
Journal of Computational Chemistry|January 27, 2023
NE-RDFE: A protocol and toolkit for computing relative dissociation free energies with GROMACS between dissimilar molecules using bidirectional nonequilibrium dual topology schemesMarina Macchiagodena, Marco Pagliai, Piero Procacci
Journal of Computational Chemistry|December 24, 2002
An ab initio force field for the cofactors of bacterial photosynthesisMatteo Ceccarelli, Piero Procacci, Massimo Marchi
Journal of Computational Chemistry|October 14, 2009
ORAC: a molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic levelSimone Marsili, Giorgio Federico Signorini, Riccardo Chelli, et al.
Journal of Computational Chemistry|June 13, 2025
Development of a New AMBER Force Field for Cysteine and Histidine Cadmium-Binding Proteins and Its Validation Through QM/MM MD SimulationsMatteo Orlandi, Marina Macchiagodena, Piero Procacci, et al.
Pageof 1