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Disambiguation of "Simmonett, Andrew C."

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OpenMM 7: Rapid development of high performance algorithms for molecular dynamics.

, , , , , , , , , , , , and . PLoS Comput. Biol., (2017)

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Andrew C Brunson

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Andrew C Rouse

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Andrew Lee

 

Other publications of authors with the same name

Psi4: an open-source ab initio electronic structure program, , , , , , , , , and 10 other author(s). Wiley Interdisciplinary Reviews: Computational Molecular Science, 2 (4): 556--565 (2012)Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge., , , , , , , , , and 2 other author(s). J. Comput. Aided Mol. Des., 30 (11): 989-1006 (2016)From acetylene complexes to vinylidene structures: The GeC2H2 system., , , , and . J. Comput. Chem., 32 (1): 15-22 (2011)The Extended Eighth-Shell method for periodic boundary conditions with rotational symmetry., , , and . J. Comput. Chem., 42 (19): 1373-1383 (2021)OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials., , , , , , , , , and 12 other author(s). CoRR, (2023)Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK a corrections., , , , , , , and . J. Comput. Aided Mol. Des., 30 (11): 1087-1100 (2016)OpenMM 7: Rapid development of high performance algorithms for molecular dynamics., , , , , , , , , and 3 other author(s). PLoS Comput. Biol., (2017)