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X
Abreu, Charlles R.A.
9  Ergebnisse:
OpenAccess-Volltexte X
Personensuche X
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1

OpenMM 8: Molecular Dynamics Simulation with Machine Learni..:

Eastman, Peter ; Galvelis, Raimondas ; Peláez, Raúl P...
http://arxiv.org/abs/2310.03121.  , 2023
Link: http://arxiv.org/abs/231..
 
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2

OpenMM 8: Molecular Dynamics Simulation with Machine Learni..:

Eastman, Peter ; Galvelis, Raimondas ; Peláez, Raúl P...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10659447/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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3

A New Formulation for the Concerted Alchemical Calculation ..:

Correa, Gabriela B ; Maciel, Jessica C. S. L ; Tavares, Frederico W.
http://arxiv.org/abs/2205.11464.  , 2022
Link: http://arxiv.org/abs/220..
 
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4

Refinement of Thermostated Molecular Dynamics Using Backwar..:

Silveira, Ana J ; Abreu, Charlles R. A
http://arxiv.org/abs/1811.05035.  , 2018
Link: http://arxiv.org/abs/181..
 
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5

CHEMICAL POTENTIALS OF HARD-CORE MOLECULES BY A STEPWISE IN..:

Maciel, Jéssica C. da S. L ; Abreu, Charlles R. A ; Tavares, Frederico W
10.1590/0104-6632.20180352s20160276.  , 2018
Link: http://www.scielo.br/sci..
 
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6

Unified Free Energy Dynamics with OpenMM:

Charlles R. A. Abreu
doi:10.5281/zenodo.8124437.  , 2023
Link: https://zenodo.org/recor..
 
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7

openmm/openmm: OpenMM 8.0.0 beta:

Peter Eastman ; Jason Swails ; John Chodera...
https://github.com/openmm/openmm/tree/8.0.0beta.  , 2022
Link: https://zenodo.org/recor..
 
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8

craabreu/mics: Implementation of base classes:

Charlles R. A. Abreu
https://github.com/craabreu/mics/tree/v0.2.0.  , 2018
Link: https://zenodo.org/recor..
 
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9

atoms-ufrj/playmol v1.0:

Charlles R. A. Abreu ; iuri segtovich ; Gabriel-MS.
https://github.com/atoms-ufrj/playmol/tree/v1.0.  , 2018
Link: https://zenodo.org/recor..
 
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