Andrew S. Paluch

Publication Activity (10 Years)

Years Active: 2016-2022
Publications (10 Years): 6

Top Topics

Molecular Dynamics

Monte Carlo Methods

Top Venues

J. Comput. Aided Mol. Des.

J. Comput. Chem.

Publications

Sergio A. Rodriguez, Jasmine Vy Tran, Spencer J. Sabatino, Andrew S. Paluch
Predicting octanol/water partition coefficients and pKa for the SAMPL7 challenge using the SM12, SM8 and SMD solvation models. J. Comput. Aided Mol. Des. 36 (9) (2022)
Spencer J. Sabatino, Andrew S. Paluch
Predicting octanol/water partition coefficients using molecular simulation for the SAMPL7 challenge: comparing the use of neat and water saturated 1-octanol. J. Comput. Aided Mol. Des. 35 (10) (2021)
Jonathan A. Ouimet, Andrew S. Paluch
Predicting octanol/water partition coefficients for the SAMPL6 challenge using the SM12, SM8, and SMD solvation models. J. Comput. Aided Mol. Des. 34 (5) (2020)
Courtney E. Cox, Jeremy R. Phifer, Larissa Ferreira da Silva, Gabriel Gonçalves Nogueira, Ryan T. Ley, Elizabeth J. O'Loughlin, Ana Karolyne Pereira Barbosa, Brett T. Rygelski, Andrew S. Paluch
Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection. J. Comput. Aided Mol. Des. 31 (2) (2017)
Jindal K. Shah, Eliseo Marin-Rimoldi, Ryan Gotchy Mullen, Brian P. Keene, Sandip Khan, Andrew S. Paluch, Neeraj Rai, Lucienne L. Romanielo, Thomas W. Rosch, Brian Yoo, Edward J. Maginn
Cassandra: An open source Monte Carlo package for molecular simulation. J. Comput. Chem. 38 (19) (2017)
Sebastian Diaz-Rodriguez, Samantha M. Bozada, Jeremy R. Phifer, Andrew S. Paluch
Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model. J. Comput. Aided Mol. Des. 30 (11) (2016)