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Journal of Chemical Theory and Computation
|
November 21, 2015
Fast Switching Alchemical Transformations in Molecular Dynamics Simulations
Piero Procacci, Chiara Cardelli
Physical Chemistry Chemical Physics : PCCP
|
February 12, 2009
A potential of mean force estimator based on nonequilibrium work exponential averages
Riccardo Chelli, Piero Procacci
Journal of Chemical Theory and Computation
|
April 8, 2017
Statistical Mechanics of Ligand-Receptor Noncovalent Association, Revisited: Binding Site and Standard State Volumes in Modern Alchemical Theories
Piero Procacci, Riccardo Chelli
The Journal of Physical Chemistry. B
|
February 4, 2010
Free energy reconstruction in bidirectional force spectroscopy experiments: the effect of the device stiffness
Simone Marsili, Piero Procacci
Neural Regeneration Research
|
June 29, 2020
Mounting evidence of FKBP12 implication in neurodegeneration
Gabriella Caminati, Piero Procacci
Journal of Computer-Aided Molecular Design
|
January 4, 2021
SAMPL7 blind predictions using nonequilibrium alchemical approaches
Piero Procacci, Guido Guarnieri
Physical Chemistry Chemical Physics : PCCP
|
July 11, 2024
Methodological and force field effects in the molecular dynamics-based prediction of binding free energies of host-guest systems
Zhaoxi Sun, Piero Procacci
The Journal of Chemical Physics
|
April 1, 2023
SAMPL9 blind predictions for toluene/water partition coefficients using nonequilibrium alchemical approaches
Piero Procacci, Guido Guarnieri
The Journal of Chemical Physics
|
April 30, 2022
SAMPL9 blind predictions using nonequilibrium alchemical approaches
Piero Procacci, Guido Guarnieri
Physical Chemistry Chemical Physics : PCCP
|
May 9, 2013
The conformational landscape of tartrate-based inhibitors of the TACE enzyme as revealed by Hamiltonian Replica Exchange simulation
Carlo Guardiani, Piero Procacci
Page
of 9
Search research articles
Search
Showing results (21-30 of 87) with videos related to
Sort By:
Page
of 9
Journal of Chemical Theory and Computation
|
November 21, 2015
Fast Switching Alchemical Transformations in Molecular Dynamics Simulations
Piero Procacci, Chiara Cardelli
Physical Chemistry Chemical Physics : PCCP
|
February 12, 2009
A potential of mean force estimator based on nonequilibrium work exponential averages
Riccardo Chelli, Piero Procacci
Journal of Chemical Theory and Computation
|
April 8, 2017
Statistical Mechanics of Ligand-Receptor Noncovalent Association, Revisited: Binding Site and Standard State Volumes in Modern Alchemical Theories
Piero Procacci, Riccardo Chelli
The Journal of Physical Chemistry. B
|
February 4, 2010
Free energy reconstruction in bidirectional force spectroscopy experiments: the effect of the device stiffness
Simone Marsili, Piero Procacci
Neural Regeneration Research
|
June 29, 2020
Mounting evidence of FKBP12 implication in neurodegeneration
Gabriella Caminati, Piero Procacci
Journal of Computer-Aided Molecular Design
|
January 4, 2021
SAMPL7 blind predictions using nonequilibrium alchemical approaches
Piero Procacci, Guido Guarnieri
Physical Chemistry Chemical Physics : PCCP
|
July 11, 2024
Methodological and force field effects in the molecular dynamics-based prediction of binding free energies of host-guest systems
Zhaoxi Sun, Piero Procacci
The Journal of Chemical Physics
|
April 1, 2023
SAMPL9 blind predictions for toluene/water partition coefficients using nonequilibrium alchemical approaches
Piero Procacci, Guido Guarnieri
The Journal of Chemical Physics
|
April 30, 2022
SAMPL9 blind predictions using nonequilibrium alchemical approaches
Piero Procacci, Guido Guarnieri
Physical Chemistry Chemical Physics : PCCP
|
May 9, 2013
The conformational landscape of tartrate-based inhibitors of the TACE enzyme as revealed by Hamiltonian Replica Exchange simulation
Carlo Guardiani, Piero Procacci
Page
of 9