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Journal of Chemical Theory and Computation
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December 1, 2015
Tracing the Entropy along a Reactive Pathway: The Energy As a Generalized Reaction Coordinate
Carine Michel, Alessandro Laio, Anne Milet
Physical Review Letters
|
July 15, 2003
Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics
Marcella Iannuzzi, Alessandro Laio, Michele Parrinello
The Journal of Physical Chemistry Letters
|
December 29, 2021
Model Folded Hydrophobic Polymers Reside in Highly Branched Voids
Khatereh Azizi, Alessandro Laio, Ali Hassanali
Journal of Chemical Information and Modeling
|
July 11, 2019
Predicting the Affinity of Peptides to Major Histocompatibility Complex Class II by Scoring Molecular Dynamics Simulations
Rodrigo Ochoa, Alessandro Laio, Pilar Cossio
Physical Review Letters
|
September 28, 2004
Correlations among hydrogen bonds in liquid water
Paolo Raiteri, Alessandro Laio, Michele Parrinello
The Journal of Chemical Physics
|
March 11, 2014
Shape and area fluctuation effects on nucleation theory
Santi Prestipino, Alessandro Laio, Erio Tosatti
Physical Chemistry Chemical Physics : PCCP
|
June 4, 2011
Initial stages of salt crystal dissolution determined with ab initio molecular dynamics
Li-Min Liu, Alessandro Laio, Angelos Michaelides
Journal of the American Chemical Society
|
February 24, 2005
Flexible docking in solution using metadynamics
Francesco Luigi Gervasio, Alessandro Laio, Michele Parrinello
Journal of Chemical Theory and Computation
|
March 15, 2023
Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water
Edward Danquah Donkor, Alessandro Laio, Ali Hassanali
Physical Review Letters
|
August 12, 2025
Linear Scaling Causal Discovery from High-Dimensional Time Series by Dynamical Community Detection
Matteo Allione, Vittorio Del Tatto, Alessandro Laio
Page
of 13
Search research articles
Search
Showing results (21-30 of 122) with videos related to
Sort By:
Page
of 13
Journal of Chemical Theory and Computation
|
December 1, 2015
Tracing the Entropy along a Reactive Pathway: The Energy As a Generalized Reaction Coordinate
Carine Michel, Alessandro Laio, Anne Milet
Physical Review Letters
|
July 15, 2003
Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics
Marcella Iannuzzi, Alessandro Laio, Michele Parrinello
The Journal of Physical Chemistry Letters
|
December 29, 2021
Model Folded Hydrophobic Polymers Reside in Highly Branched Voids
Khatereh Azizi, Alessandro Laio, Ali Hassanali
Journal of Chemical Information and Modeling
|
July 11, 2019
Predicting the Affinity of Peptides to Major Histocompatibility Complex Class II by Scoring Molecular Dynamics Simulations
Rodrigo Ochoa, Alessandro Laio, Pilar Cossio
Physical Review Letters
|
September 28, 2004
Correlations among hydrogen bonds in liquid water
Paolo Raiteri, Alessandro Laio, Michele Parrinello
The Journal of Chemical Physics
|
March 11, 2014
Shape and area fluctuation effects on nucleation theory
Santi Prestipino, Alessandro Laio, Erio Tosatti
Physical Chemistry Chemical Physics : PCCP
|
June 4, 2011
Initial stages of salt crystal dissolution determined with ab initio molecular dynamics
Li-Min Liu, Alessandro Laio, Angelos Michaelides
Journal of the American Chemical Society
|
February 24, 2005
Flexible docking in solution using metadynamics
Francesco Luigi Gervasio, Alessandro Laio, Michele Parrinello
Journal of Chemical Theory and Computation
|
March 15, 2023
Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water
Edward Danquah Donkor, Alessandro Laio, Ali Hassanali
Physical Review Letters
|
August 12, 2025
Linear Scaling Causal Discovery from High-Dimensional Time Series by Dynamical Community Detection
Matteo Allione, Vittorio Del Tatto, Alessandro Laio
Page
of 13