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Andrew S Paluch

Showing results (1-10 of 26) with videos related to

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The Journal of Physical Chemistry. B|January 24, 2017
Microscopic Structure and Solubility Predictions of Multifunctional Solids in Supercritical Carbon Dioxide: A Molecular Simulation StudyJavad Noroozi, Andrew S Paluch
Journal of Computer-Aided Molecular Design|February 1, 2020
Predicting octanol/water partition coefficients for the SAMPL6 challenge using the SM12, SM8, and SMD solvation modelsJonathan A Ouimet, Andrew S Paluch
Journal of Computer-Aided Molecular Design|September 8, 2021
Predicting octanol/water partition coefficients using molecular simulation for the SAMPL7 challenge: comparing the use of neat and water saturated 1-octanolSpencer J Sabatino, Andrew S Paluch
The Journal of Chemical Physics|March 3, 2016
Understanding the large solubility of lidocaine in 1-n-butyl-3-methylimidazolium based ionic liquids using molecular simulationRyan T Ley, Andrew S Paluch
Journal of Computational Chemistry|October 22, 2025
Leveraging Molecular Mechanics With the uESE Continuum Solvation Model for Efficient Solvation Free Energy Prediction: Impact of Conformation and Extensive ValidationAndrew S Paluch, Jeffrey G Ethier, Vikas Varshney
Journal of Molecular Graphics & Modelling|August 17, 2023
Ensemble-based virtual screening of African natural products to target human thymidylate synthaseDenis Mteremko, Jaffu Chilongola, Andrew S Paluch, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Efficient Solvation Free Energy Calculations of Amino Acid Analogs by Expanded Ensemble Molecular SimulationAndrew S Paluch, Jindal K Shah, Edward J Maginn
Journal of Chemical Theory and Computation|November 26, 2015
Small Molecule Solvation Free Energy: Enhanced Conformational Sampling Using Expanded Ensemble Molecular Dynamics SimulationAndrew S Paluch, David L Mobley, Edward J Maginn
Journal of Molecular Graphics & Modelling|October 18, 2022
Targeting human thymidylate synthase: Ensemble-based virtual screening for drug repositioning and the role of waterDenis Mteremko, Jaffu Chilongola, Andrew S Paluch, et al.
Physical Chemistry Chemical Physics : PCCP|July 11, 2025
Harnessing antimicrobial peptide-functionalized nanoparticles: a perspective on experimental and computational strategies to combat antibiotic resistanceMiroslava Nedyalkova, Diana Potes Vecini, Andrew S Paluch, et al.
Pageof 3

Showing results (1-10 of 26) with videos related to

Sort By:
Pageof 3
The Journal of Physical Chemistry. B|January 24, 2017
Microscopic Structure and Solubility Predictions of Multifunctional Solids in Supercritical Carbon Dioxide: A Molecular Simulation StudyJavad Noroozi, Andrew S Paluch
Journal of Computer-Aided Molecular Design|February 1, 2020
Predicting octanol/water partition coefficients for the SAMPL6 challenge using the SM12, SM8, and SMD solvation modelsJonathan A Ouimet, Andrew S Paluch
Journal of Computer-Aided Molecular Design|September 8, 2021
Predicting octanol/water partition coefficients using molecular simulation for the SAMPL7 challenge: comparing the use of neat and water saturated 1-octanolSpencer J Sabatino, Andrew S Paluch
The Journal of Chemical Physics|March 3, 2016
Understanding the large solubility of lidocaine in 1-n-butyl-3-methylimidazolium based ionic liquids using molecular simulationRyan T Ley, Andrew S Paluch
Journal of Computational Chemistry|October 22, 2025
Leveraging Molecular Mechanics With the uESE Continuum Solvation Model for Efficient Solvation Free Energy Prediction: Impact of Conformation and Extensive ValidationAndrew S Paluch, Jeffrey G Ethier, Vikas Varshney
Journal of Molecular Graphics & Modelling|August 17, 2023
Ensemble-based virtual screening of African natural products to target human thymidylate synthaseDenis Mteremko, Jaffu Chilongola, Andrew S Paluch, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Efficient Solvation Free Energy Calculations of Amino Acid Analogs by Expanded Ensemble Molecular SimulationAndrew S Paluch, Jindal K Shah, Edward J Maginn
Journal of Chemical Theory and Computation|November 26, 2015
Small Molecule Solvation Free Energy: Enhanced Conformational Sampling Using Expanded Ensemble Molecular Dynamics SimulationAndrew S Paluch, David L Mobley, Edward J Maginn
Journal of Molecular Graphics & Modelling|October 18, 2022
Targeting human thymidylate synthase: Ensemble-based virtual screening for drug repositioning and the role of waterDenis Mteremko, Jaffu Chilongola, Andrew S Paluch, et al.
Physical Chemistry Chemical Physics : PCCP|July 11, 2025
Harnessing antimicrobial peptide-functionalized nanoparticles: a perspective on experimental and computational strategies to combat antibiotic resistanceMiroslava Nedyalkova, Diana Potes Vecini, Andrew S Paluch, et al.
Pageof 3