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Gianmarc Grazioli

Showing results (1-10 of 12) with videos related to

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The Journal of Chemical Physics|September 9, 2018
Advances in milestoning. II. Calculating time-correlation functions from milestoning using stochastic path integralsGianmarc Grazioli, Ioan Andricioaei
The Journal of Chemical Physics|September 9, 2018
Advances in milestoning. I. Enhanced sampling via wind-assisted reweighted milestoning (WARM)Gianmarc Grazioli, Ioan Andricioaei
The Journal of Chemical Physics|August 3, 2015
Rate turnover in mechano-catalytic coupling: A model and its microscopic originMahua Roy, Gianmarc Grazioli, Ioan Andricioaei
Journal of Chemical Information and Modeling|May 8, 2019
Predicting Reaction Products and Automating Reactive Trajectory Characterization in Molecular Simulations with Support Vector MachinesGianmarc Grazioli, Saswata Roy, Carter T Butts
The Journal of Chemical Physics|October 23, 2017
Automated placement of interfaces in conformational kinetics calculations using machine learningGianmarc Grazioli, Carter T Butts, Ioan Andricioaei
Frontiers in Molecular Biosciences|June 28, 2019
Comparative Exploratory Analysis of Intrinsically Disordered Protein Dynamics Using Machine Learning and Network Analytic MethodsGianmarc Grazioli, Rachel W Martin, Carter T Butts
The Journal of Physical Chemistry. B|February 15, 2024
Genetic Algorithm for Automated Parameterization of Network Hamiltonian Models of Amyloid Fibril FormationGianmarc Grazioli, Andy Tao, Inika Bhatia, et al.
Scientific Reports|September 25, 2020
Network Hamiltonian models reveal pathways to amyloid fibril formationYue Yu, Gianmarc Grazioli, Megha H Unhelkar, et al.
Biomolecules|December 24, 2021
Neural Upscaling from Residue-Level Protein Structure Networks to Atomistic StructuresVy T Duong, Elizabeth M Diessner, Gianmarc Grazioli, et al.
The Journal of Physical Chemistry. B|May 17, 2019
Network-Based Classification and Modeling of Amyloid FibrilsGianmarc Grazioli, Yue Yu, Megha H Unhelkar, et al.
Pageof 2

Showing results (1-10 of 12) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|September 9, 2018
Advances in milestoning. II. Calculating time-correlation functions from milestoning using stochastic path integralsGianmarc Grazioli, Ioan Andricioaei
The Journal of Chemical Physics|September 9, 2018
Advances in milestoning. I. Enhanced sampling via wind-assisted reweighted milestoning (WARM)Gianmarc Grazioli, Ioan Andricioaei
The Journal of Chemical Physics|August 3, 2015
Rate turnover in mechano-catalytic coupling: A model and its microscopic originMahua Roy, Gianmarc Grazioli, Ioan Andricioaei
Journal of Chemical Information and Modeling|May 8, 2019
Predicting Reaction Products and Automating Reactive Trajectory Characterization in Molecular Simulations with Support Vector MachinesGianmarc Grazioli, Saswata Roy, Carter T Butts
The Journal of Chemical Physics|October 23, 2017
Automated placement of interfaces in conformational kinetics calculations using machine learningGianmarc Grazioli, Carter T Butts, Ioan Andricioaei
Frontiers in Molecular Biosciences|June 28, 2019
Comparative Exploratory Analysis of Intrinsically Disordered Protein Dynamics Using Machine Learning and Network Analytic MethodsGianmarc Grazioli, Rachel W Martin, Carter T Butts
The Journal of Physical Chemistry. B|February 15, 2024
Genetic Algorithm for Automated Parameterization of Network Hamiltonian Models of Amyloid Fibril FormationGianmarc Grazioli, Andy Tao, Inika Bhatia, et al.
Scientific Reports|September 25, 2020
Network Hamiltonian models reveal pathways to amyloid fibril formationYue Yu, Gianmarc Grazioli, Megha H Unhelkar, et al.
Biomolecules|December 24, 2021
Neural Upscaling from Residue-Level Protein Structure Networks to Atomistic StructuresVy T Duong, Elizabeth M Diessner, Gianmarc Grazioli, et al.
The Journal of Physical Chemistry. B|May 17, 2019
Network-Based Classification and Modeling of Amyloid FibrilsGianmarc Grazioli, Yue Yu, Megha H Unhelkar, et al.
Pageof 2