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The Journal of Chemical Physics
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September 9, 2018
Advances in milestoning. II. Calculating time-correlation functions from milestoning using stochastic path integrals
Gianmarc 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 origin
Mahua 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 Machines
Gianmarc Grazioli, Saswata Roy, Carter T Butts
The Journal of Chemical Physics
|
October 23, 2017
Automated placement of interfaces in conformational kinetics calculations using machine learning
Gianmarc 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 Methods
Gianmarc 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 Formation
Gianmarc Grazioli, Andy Tao, Inika Bhatia, et al.
Scientific Reports
|
September 25, 2020
Network Hamiltonian models reveal pathways to amyloid fibril formation
Yue Yu, Gianmarc Grazioli, Megha H Unhelkar, et al.
Biomolecules
|
December 24, 2021
Neural Upscaling from Residue-Level Protein Structure Networks to Atomistic Structures
Vy 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 Fibrils
Gianmarc Grazioli, Yue Yu, Megha H Unhelkar, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
September 9, 2018
Advances in milestoning. II. Calculating time-correlation functions from milestoning using stochastic path integrals
Gianmarc 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 origin
Mahua 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 Machines
Gianmarc Grazioli, Saswata Roy, Carter T Butts
The Journal of Chemical Physics
|
October 23, 2017
Automated placement of interfaces in conformational kinetics calculations using machine learning
Gianmarc 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 Methods
Gianmarc 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 Formation
Gianmarc Grazioli, Andy Tao, Inika Bhatia, et al.
Scientific Reports
|
September 25, 2020
Network Hamiltonian models reveal pathways to amyloid fibril formation
Yue Yu, Gianmarc Grazioli, Megha H Unhelkar, et al.
Biomolecules
|
December 24, 2021
Neural Upscaling from Residue-Level Protein Structure Networks to Atomistic Structures
Vy 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 Fibrils
Gianmarc Grazioli, Yue Yu, Megha H Unhelkar, et al.
Page
of 2