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Journal of Chemical Theory and Computation
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December 27, 2024
Enhanced Sampling with Suboptimal Collective Variables: Reconciling Accuracy and Convergence Speed
Dhiman Ray, Valerio Rizzi
The Journal of Physical Chemistry Letters
|
April 3, 2020
Data-Driven Collective Variables for Enhanced Sampling
Luigi Bonati, Valerio Rizzi, Michele Parrinello
Nature Communications
|
September 16, 2022
Water regulates the residence time of Benzamidine in Trypsin
Narjes Ansari, Valerio Rizzi, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
October 9, 2019
Path integral molecular dynamics for bosons
Barak Hirshberg, Valerio Rizzi, Michele Parrinello
The Journal of Physical Chemistry Letters
|
February 4, 2022
Discover, Sample, and Refine: Exploring Chemistry with Enhanced Sampling Techniques
Umberto Raucci, Valerio Rizzi, Michele Parrinello
Scientific Reports
|
March 29, 2017
Inelastic electron injection in a water chain
Valerio Rizzi, Tchavdar N Todorov, Jorge J Kohanoff
Journal of Chemical Theory and Computation
|
July 18, 2019
Blind Search for Complex Chemical Pathways Using Harmonic Linear Discriminant Analysis
Valerio Rizzi, Dan Mendels, Emilia Sicilia, et al.
Journal of the American Chemical Society
|
August 16, 2021
Water-Triggered, Irreversible Conformational Change of SARS-CoV-2 Main Protease on Passing from the Solid State to Aqueous Solution
Narjes Ansari, Valerio Rizzi, Paolo Carloni, et al.
Nature Communications
|
January 5, 2021
The role of water in host-guest interaction
Valerio Rizzi, Luigi Bonati, Narjes Ansari, et al.
The Journal of Chemical Physics
|
September 16, 2024
DeepLNE++ leveraging knowledge distillation for accelerated multi-state path-like collective variables
Thorben Fröhlking, Valerio Rizzi, Simone Aureli, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
December 27, 2024
Enhanced Sampling with Suboptimal Collective Variables: Reconciling Accuracy and Convergence Speed
Dhiman Ray, Valerio Rizzi
The Journal of Physical Chemistry Letters
|
April 3, 2020
Data-Driven Collective Variables for Enhanced Sampling
Luigi Bonati, Valerio Rizzi, Michele Parrinello
Nature Communications
|
September 16, 2022
Water regulates the residence time of Benzamidine in Trypsin
Narjes Ansari, Valerio Rizzi, Michele Parrinello
Proceedings of the National Academy of Sciences of the United States of America
|
October 9, 2019
Path integral molecular dynamics for bosons
Barak Hirshberg, Valerio Rizzi, Michele Parrinello
The Journal of Physical Chemistry Letters
|
February 4, 2022
Discover, Sample, and Refine: Exploring Chemistry with Enhanced Sampling Techniques
Umberto Raucci, Valerio Rizzi, Michele Parrinello
Scientific Reports
|
March 29, 2017
Inelastic electron injection in a water chain
Valerio Rizzi, Tchavdar N Todorov, Jorge J Kohanoff
Journal of Chemical Theory and Computation
|
July 18, 2019
Blind Search for Complex Chemical Pathways Using Harmonic Linear Discriminant Analysis
Valerio Rizzi, Dan Mendels, Emilia Sicilia, et al.
Journal of the American Chemical Society
|
August 16, 2021
Water-Triggered, Irreversible Conformational Change of SARS-CoV-2 Main Protease on Passing from the Solid State to Aqueous Solution
Narjes Ansari, Valerio Rizzi, Paolo Carloni, et al.
Nature Communications
|
January 5, 2021
The role of water in host-guest interaction
Valerio Rizzi, Luigi Bonati, Narjes Ansari, et al.
The Journal of Chemical Physics
|
September 16, 2024
DeepLNE++ leveraging knowledge distillation for accelerated multi-state path-like collective variables
Thorben Fröhlking, Valerio Rizzi, Simone Aureli, et al.
Page
of 3