E-LIB Suche - Ergebnisse für: Abreu, Charlles R.A.

1

The applicability of the urine color scale in pediatric uro..:

Silva, Eduarda Alvarez ; Portugal, Matheus Mascarenhas ; Nunes, Noel Charlles...
Journal of Pediatric Urology. , 2024

Link: https://doi.org/10.1016/..

2

Molecular Reconstruction of Heavy Petroleum Fractions: A Ba..:

Maciel, Helton S. ; Fernandes, Diego T. ; Abreu, Charlles R. A...
Energy & Fuels. , 2024

Link: https://doi.org/10.1021/..

3

Use of ChatGPT in Urology and its Relevance in Clinical Pra..:

Braga, Antonio Vitor Nascimento Martinelli ; Nunes, Noel Charlles ; Santos, Emanoel Nascimento...
International braz j urol. 50 (2024) 2 - p. 192-198 , 2024

Link: https://doi.org/10.1590/..

4

Revisiting the pseudo-supercritical path method: An improve..:

Correa, Gabriela B. ; Zhang, Yong ; Abreu, Charlles R. A...
The Journal of Chemical Physics. 159 (2023) 10 - p. , 2023

Link: https://doi.org/10.1063/..

5

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

Eastman, Peter ; Galvelis, Raimondas ; Peláez, Raúl P....
The Journal of Physical Chemistry B. 128 (2023) 1 - p. 109-116 , 2023

Link: https://doi.org/10.1021/..

6

Association between rectal diameter and response to treatme..:

Nunes, Noel Charlles ; de Abreu, Glicia Estevam ; Dourado, Eneida Regis...
International braz j urol. 49 (2023) 6 - p. 688-699 , 2023

Link: https://doi.org/10.1590/..

7

An exploration of machine learning models for the determina..:

Naleem, Nawavi ; Abreu, Charlles R. A. ; Warmuz, Krzysztof...
The Journal of Chemical Physics. 159 (2023) 3 - p. , 2023

Link: https://doi.org/10.1063/..

8

An interoperable implementation of collective‐variable base..:

Bajpai, Shitanshu ; Petkov, Brian K. ; Tong, Muchen...
Journal of Computational Chemistry. 44 (2023) 28 - p. 2166-2183 , 2023

Link: https://doi.org/10.1002/..

9

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..

10

Unified Free Energy Dynamics with OpenMM:

Charlles R. A. Abreu
doi:10.5281/zenodo.8124437. , 2023

Link: https://zenodo.org/recor..

11

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...

12

A New Formulation for the Concerted Alchemical Calculation ..:

Correa, Gabriela B. ; Maciel, Jéssica C. S. L. ; Tavares, Frederico W..
Journal of Chemical Theory and Computation. 18 (2022) 10 - p. 5876-5889 , 2022

Link: https://doi.org/10.1021/..

13

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..

14

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..

15

Fick diffusion coefficients via molecular dynamics: An alte..:

dos Santos, Thiago J.P. ; Tavares, Frederico W. ; Abreu, Charlles R.A.
Journal of Molecular Liquids. 329 (2021) - p. 115460 , 2021

Link: https://doi.org/10.1016/..