AmberStudio: A Platform for Molecular Simulations with Amber
German Barletta, Zeke A. Piskulich, Ryan Snyder, Şölen Ekesan et autres
0 citationsZenodo (CERN European Organization for Nuclear Research)
Ryan Snyder
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14Publications signalées
266Citations signalées
2Affiliations récentes
Institutions déclarées
Domaines associés
Protein Structure and DynamicsMachine Learning in Materials ScienceComputational Drug Discovery MethodsAdvanced Chemical Physics StudiesPhotosynthetic Processes and Mechanisms
Publications récentes
AmberStudio: A Platform for Molecular Simulations with Amber
German Barletta, Zeke A. Piskulich, Ryan Snyder, Şölen Ekesan et autres
0 citationsZenodo (CERN European Organization for Nuclear Research)
Enhancing Gaussian process regression-accelerated QM/MM free energy simulations using atomic environment descriptors
Ryan Snyder, Dongru Li, Thang Ho, Hysum Qazi et autres
1 citationThe Journal of Chemical Physics
Enhancing Gaussian process regression-accelerated QM/MM free energy simulations using atomic environment descriptors
Ryan Snyder, Dongru Li, T.‐L. HO, Bryant Kim et autres
0 citationsChemRxiv
Enhancing Gaussian process regression-accelerated QM/MM free energy simulations using atomic environment descriptors
Ryan Snyder, Dongru Li, T.‐L. HO, Bryant Kim et autres
0 citationsChemRxiv
Recent Developments in Amber Biomolecular Simulations
David A. Case, David S. Cerutti, Vinícius Wilian D. Cruzeiro, Thomas A. Darden et autres
189 citationsJournal of Chemical Information and Modeling
FE-ToolKit: A Versatile Software Suite for Analysis of High-Dimensional Free Energy Surfaces and Alchemical Free Energy Networks
Timothy J. Giese, Ryan Snyder, Zeke A. Piskulich, German P. Barletta et autres
7 citationsJournal of Chemical Information and Modeling
Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization
Alejandro Blanco-González, William Betancourt, Ryan Snyder, Shi Zhang et autres
0 citationsChemRxiv
Training machine learning potentials for reactive systems: A Colab tutorial on basic models
Xiaoliang Pan, Ryan Snyder, Jianing Wang, Chance Lander et autres
9 citationsJournal of Computational Chemistry
The Training of Machine Learning Potentials for Reactive Systems: A Colab Tutorial on Basic Models
Xiaoliang Pan, Ryan Snyder, Jianing Wang, Chance Lander et autres
2 citationsChemRxiv
Bridging semiempirical and ab initio QM/MM potentials by Gaussian process regression and its sparse variants for free energy simulation
Ryan Snyder, Bryant Kim, Xiaoliang Pan, Yihan Shao et autres
21 citationsThe Journal of Chemical Physics
Facilitating ab initio QM/MM free energy simulations by Gaussian process regression with derivative observations
Ryan Snyder, Bryant Kim, Xiaoliang Pan, Yihan Shao et autres
16 citationsPhysical Chemistry Chemical Physics
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