Andrew S. Paluch

According to our database, Andrew S. Paluch authored at least 6 papers between 2016 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of six.

2022

Predicting octanol/water partition coefficients and pKa for the SAMPL7 challenge using the SM12, SM8 and SMD solvation models.

Sergio A. Rodriguez, Jasmine Vy Tran, Spencer J. Sabatino, Andrew S. Paluch

J. Comput. Aided Mol. Des., 2022

2021

Predicting octanol/water partition coefficients using molecular simulation for the SAMPL7 challenge: comparing the use of neat and water saturated 1-octanol.

Spencer J. Sabatino, Andrew S. Paluch

J. Comput. Aided Mol. Des., 2021

2020

Predicting octanol/water partition coefficients for the SAMPL6 challenge using the SM12, SM8, and SMD solvation models.

Jonathan A. Ouimet, Andrew S. Paluch

J. Comput. Aided Mol. Des., 2020

2017

Cassandra: An open source Monte Carlo package for molecular simulation.

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

J. Comput. Chem., 2017

Combining MOSCED with molecular simulation free energy calculations or electronic structure calculations to develop an efficient tool for solvent formulation and selection.

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

J. Comput. Aided Mol. Des., 2017

2016

Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model.

Sebastian Diaz-Rodriguez, Samantha M. Bozada, Jeremy R. Phifer, Andrew S. Paluch

J. Comput. Aided Mol. Des., 2016