Gaetano Calabrò - Publications, H-index & Citations

Gaetano Calabrò

university of california irvine

8H指数

33论文数

457被引数

收录论文 7

发表时间

Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-05-30

OAAI

Woods, Christopher J.; Hedges, Lester O.; Mulholland, Adrian J.; Malaisree, Maturos; Tosco, Paolo; Loeffler, Hannes H.; Suruzhon, Miroslav; Burman, Matthew; Bariami, Sofia; Bosisio, Stefano; Calabro, Gaetano; Clark, Finlay; Mey, Antonia S. J. S.; Michel, Julien

Infinite Dilution Activity Coefficients as Constraints for Force Field Parametrization and Method Development

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-04-02

OAAI

Matos, Guilherme Duarte Ramos; Calabro, Gaetano; Mobley, David L.

Biomolecular Solvation Structure Revealed by Molecular Dynamics Simulations

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2019-03-05

OAAI

Wall, Michael E.; Calabro, Gaetano; Bayly, Christopher I.; Mobley, David L.; Warren, Gregory L.

Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/Water

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2016-08-01

150

OAAI

Bannan, Caitlin C.; Calabro, Gaetano; Kyu, Daisy Y.; Mobley, David L.

Evaluation of Selected Classical Force Fields for Alchemical Binding Free Energy Calculations of Protein-Carbohydrate Complexes 用于蛋白质-碳水化合物复合物的炼化结合自由能计算的选定经典力场的评估

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2015-07-02

OAAI

Mishra, Sushil K.; Calabro, Gaetano; Loeffler, Hannes H.; Michel, Julien; Koca, Jaroslav

A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors

FARADAY DISCUSSIONS

IF3.1

2014-01-01

OAAI

Glowacki, David R.; O'Connor, Michael; Calabro, Gaetano; Price, James; Tew, Philip; Mitchell, Thomas; Hyde, Joseph; Tew, David P.; Coughtrie, David J.; McIntosh-Smith, Simon

Prediction of Small Molecule Hydration Thermodynamics with Grid Cell Theory

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2013-12-13

OAAI

Gerogiokas, Georgios; Calabro, Gaetano; Henchman, Richard H.; Southey, Michelle W. Y.; Law, Richard J.; Michel, Julien

研究方向