Search results for "OpenMM"

Found 13 publication records. Showing 13 according to the selection in the facets

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
36	Volodymyr V. Kindratenko, Robert B. Wilhelmson, Robert J. Brunner, Todd J. Martínez, Wen-mei W. Hwu	High-Performance Computing with Accelerators.	Comput. Sci. Eng.	2010	DBLP DOI BibTeX RDF	OpenMM, GPU, high-performance computing, OpenMP, accelerators
33	Shitanshu Bajpai, Brian K. Petkov, Muchen Tong, Charlles R. A. Abreu, Nisanth N. Nair, Mark E. Tuckerman	An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package.	J. Comput. Chem.	2023	DBLP DOI BibTeX RDF
33	Peter K. Eastman, Raimondas Galvelis, Raúl P. Peláez, Charlles R. A. Abreu, Stephen E. Farr, Emilio Gallicchio, Anton Gorenko, Michael M. Henry, Frank Hu, Jing Huang 0004, Andreas Krämer, Julien Michel, Joshua A. Mitchell, Vijay S. Pande, João P. G. L. M. Rodrigues, Jaime Rodríguez-Guerra, Andrew C. Simmonett, Jason M. Swails, Ivy Zhang, John D. Chodera, Gianni De Fabritiis, Thomas E. Markland	OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.	CoRR	2023	DBLP DOI BibTeX RDF
33	Lane W. Votapka, Andrew M. Stokely, Anupam Anand Ojha, Rommie E. Amaro	SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine.	J. Chem. Inf. Model.	2022	DBLP DOI BibTeX RDF
33	Daniil Pavlov, Daniil Kolotinskii, Vladimir V. Stegailov	GPU-Based Molecular Dynamics of Turbulent Liquid Flows with OpenMM.	PPAM (1)	2022	DBLP DOI BibTeX RDF
33	Martin Floor, Kengjie Li, Miquel Estévez-Gay, Luis Agulló, Pau M. Muñoz-Torres, Jenn K. Hwang, Sílvia Osuna, Jordi Villà-Freixa	SBMOpenMM: A Builder of Structure-Based Models for OpenMM.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
33	Marley L. Samways, Hannah E. Bruce Macdonald, Jonathan W. Essex	grand: A Python Module for Grand Canonical Water Sampling in OpenMM.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
33	Jing Huang 0004, Justin A. Lemkul, Peter K. Eastman, Alexander D. MacKerell Jr.	Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks.	J. Comput. Chem.	2018	DBLP DOI BibTeX RDF
33	Matthew Harger, Daniel Li, Zhi Wang, Kevin N. Dalby, Louis Lagardère, Jean-Philip Piquemal, Jay W. Ponder, Pengyu Y. Ren	Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs.	J. Comput. Chem.	2017	DBLP DOI BibTeX RDF
33	Peter K. Eastman, Jason M. Swails, John D. Chodera, Robert McGibbon, Yutong Zhao, Kyle Beauchamp, Lee-Ping Wang, Andrew C. Simmonett, Matthew P. Harrigan, Chaya D. Stern, Rafal P. Wiewiora, Bernard R. Brooks, Vijay S. Pande	OpenMM 7: Rapid development of high performance algorithms for molecular dynamics.	PLoS Comput. Biol.	2017	DBLP DOI BibTeX RDF
33	Michelle Renee Morales, Stefan Scherer, Rivka Levitan	OpenMM: An Open-Source Multimodal Feature Extraction Tool.	INTERSPEECH	2017	DBLP DOI BibTeX RDF
33	Kevin P. Bishop, Steve Constable, Nabil F. Faruk, Pierre-Nicholas Roy	OpenMM accelerated MMTK.	Comput. Phys. Commun.	2015	DBLP DOI BibTeX RDF
33	Peter K. Eastman, Vijay S. Pande	OpenMM: A Hardware-Independent Framework for Molecular Simulations.	Comput. Sci. Eng.	2010	DBLP DOI BibTeX RDF	simulations, high performance computing, hardware