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The Journal of Physical Chemistry Letters
|
December 11, 2020
Candidate Binding Sites for Allosteric Inhibition of the SARS-CoV-2 Main Protease from the Analysis of Large-Scale Molecular Dynamics Simulations
Matteo Carli, Giulia Sormani, Alex Rodriguez, et al.
The Journal of Chemical Physics
|
August 24, 2018
Preface: Special Topic on Enhanced Sampling for Molecular Systems
Alessandro Laio, Athanassios Z Panagiotopoulos, Daniel M Zuckerman
Physical Review Letters
|
May 18, 2013
Nucleation process of a fibril precursor in the C-terminal segment of amyloid-β
Fahimeh Baftizadeh, Fabio Pietrucci, Xevi Biarnés, et al.
Proceedings. Mathematical, Physical, and Engineering Sciences
|
February 14, 2022
Dynamical landscape and multistability of a climate model
Georgios Margazoglou, Tobias Grafke, Alessandro Laio, et al.
Scientific Reports
|
November 21, 2022
The generalized ratios intrinsic dimension estimator
Francesco Denti, Diego Doimo, Alessandro Laio, et al.
Plos Computational Biology
|
August 8, 2009
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulations
Fabrizio Marinelli, Fabio Pietrucci, Alessandro Laio, et al.
Physical Review Letters
|
October 30, 2012
Absolute transition rates for rare events from dynamical decoupling of reaction variables
Gianpaolo Gobbo, Alessandro Laio, Armin Maleki, et al.
The Journal of Physical Chemistry. B
|
May 1, 2012
A novel approach to the investigation of passive molecular permeation through lipid bilayers from atomistic simulations
Zhaleh Ghaemi, Manuela Minozzi, Paolo Carloni, et al.
Physical Review Letters
|
February 24, 2023
Intrinsic Dimension Estimation for Discrete Metrics
Iuri Macocco, Aldo Glielmo, Jacopo Grilli, et al.
Journal of Chemical Theory and Computation
|
August 6, 2016
Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost
Marta Rosa, Marco Micciarelli, Alessandro Laio, et al.
Page
of 13
Search research articles
Search
Showing results (41-50 of 122) with videos related to
Sort By:
Page
of 13
The Journal of Physical Chemistry Letters
|
December 11, 2020
Candidate Binding Sites for Allosteric Inhibition of the SARS-CoV-2 Main Protease from the Analysis of Large-Scale Molecular Dynamics Simulations
Matteo Carli, Giulia Sormani, Alex Rodriguez, et al.
The Journal of Chemical Physics
|
August 24, 2018
Preface: Special Topic on Enhanced Sampling for Molecular Systems
Alessandro Laio, Athanassios Z Panagiotopoulos, Daniel M Zuckerman
Physical Review Letters
|
May 18, 2013
Nucleation process of a fibril precursor in the C-terminal segment of amyloid-β
Fahimeh Baftizadeh, Fabio Pietrucci, Xevi Biarnés, et al.
Proceedings. Mathematical, Physical, and Engineering Sciences
|
February 14, 2022
Dynamical landscape and multistability of a climate model
Georgios Margazoglou, Tobias Grafke, Alessandro Laio, et al.
Scientific Reports
|
November 21, 2022
The generalized ratios intrinsic dimension estimator
Francesco Denti, Diego Doimo, Alessandro Laio, et al.
Plos Computational Biology
|
August 8, 2009
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulations
Fabrizio Marinelli, Fabio Pietrucci, Alessandro Laio, et al.
Physical Review Letters
|
October 30, 2012
Absolute transition rates for rare events from dynamical decoupling of reaction variables
Gianpaolo Gobbo, Alessandro Laio, Armin Maleki, et al.
The Journal of Physical Chemistry. B
|
May 1, 2012
A novel approach to the investigation of passive molecular permeation through lipid bilayers from atomistic simulations
Zhaleh Ghaemi, Manuela Minozzi, Paolo Carloni, et al.
Physical Review Letters
|
February 24, 2023
Intrinsic Dimension Estimation for Discrete Metrics
Iuri Macocco, Aldo Glielmo, Jacopo Grilli, et al.
Journal of Chemical Theory and Computation
|
August 6, 2016
Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost
Marta Rosa, Marco Micciarelli, Alessandro Laio, et al.
Page
of 13