Publications by authors named "Steven Rick"

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Calculations of the Absolute Free Energy, Enthalpy, and Entropy of Drug Binding Using Different Potential Models.
Steven W Rick, Christopher M Summa

J Phys Chem B· July 2025

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Calculations of Absolute Free Energies, Enthalpies, and Entropies for Drug Binding.
Christopher M Summa, Dillon P Langford, Sam H Dinshaw, Jennifer Webb, Steven W Rick

J Chem Theory Comput· April 2024

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Effects of polarizability and charge transfer on water dynamics and the underlying activation energies.
Steven W Rick, Ward H Thompson

J Chem Phys· May 2023

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The pH Response of a Peptoid Oligomer.
In Chul Hwang, Steven W Rick

J Phys Chem B· March 2023

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Simulation studies of polypeptoids using replica exchange with dynamical scaling and dihedral biasing.
Bryan A Raubenolt, Steven W Rick

J Comput Chem· July 2022

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Unraveling the Role of Charge Patterning in the Micellar Structure of Sequence-Defined Amphiphilic Peptoid Oligomers by Molecular Dynamics Simulations.
Erin Tsai, Hishara Keshani Gallage Dona, Xinjie Tong, Pu Du, Brian Novak, Steven W Rick

Macromolecules· June 2022

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Molecular dynamics simulations of the flexibility and inhibition of SARS-CoV-2 NSP 13 helicase.
Bryan A Raubenolt, Naeyma N Islam, Christoper M Summa, Steven W Rick

J Mol Graph Model· May 2022

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Molecular dynamics simulations of allosteric motions and competitive inhibition of the Zika virus helicase.
Bryan A Raubenolt, Katy Wong, Steven W Rick

J Mol Graph Model· November 2021

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Channelrhodopsin C1C2: Photocycle kinetics and interactions near the central gate.
Monika R VanGordon, Lindsey A Prignano, Robert E Dempski, Steven W Rick, Susan B Rempe

Biophys J· May 2021

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Insights into the Thermal Response of a Poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) Triblock Polymer in Water.
Steven W Rick

J Phys Chem B· March 2021

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An Implementation of Replica Exchange with Dynamical Scaling for Efficient Large-Scale Simulations.
Steven W Rick, Gregory J Schwing, Christopher M Summa

J Chem Inf Model· February 2021

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Analysis of Atomistic Potentials for Poly(ethylene glycol) Ethers.
Tasneem Ottallah, Sophia A Parandian, Steven W Rick

J Chem Theory Comput· January 2021

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Polarizable MD simulations of ionic liquids: How does additional charge transfer change the dynamics?
Christian Schröder, Alex Lyons, Steven W Rick

Phys Chem Chem Phys· January 2020

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Coarse-Grained Models for Constant pH Simulations of Carboxylic Acids.
Naeyma N Islam, Arjun Sharma, Gaurav Gyawali, Revati Kumar, Steven W Rick

J Chem Theory Comput· August 2019

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Water hydrogen degrees of freedom and the hydrophobic effect.
Naeyma Islam, Mahalia Flint, Steven W Rick

J Chem Phys· January 2019

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Towards a coarse-grained model of the peptoid backbone: the case of N,N-dimethylacetamide.
Pu Du, Steven W Rick, Revati Kumar

Phys Chem Chem Phys· September 2018

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The influence of polarizability and charge transfer on specific ion effects in the dynamics of aqueous salt solutions.
Mary Nguyen, Steven W Rick

J Chem Phys· June 2018

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Keystrokes, Mouse Clicks, and Gazing at the Computer: How Physician Interaction with the EHR Affects Patient Participation.
Richard L Street, Lin Liu, Neil J Farber, Yunan Chen, Alan Calvitti, Steven Rick

J Gen Intern Med· April 2018

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Coarse-Grained Simulations of Aqueous Thermoresponsive Polyethers.
Bryan Raubenolt, Gaurav Gyawali, Wenwen Tang, Katy S Wong, Steven W Rick

Polymers (Basel)· April 2018

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Coarse-Grained Models of Aqueous and Pure Liquid Alkanes.
Gaurav Gyawali, Samuel Sternfield, Revati Kumar, Steven W Rick

J Chem Theory Comput· August 2017

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Aggregation of cyclic polypeptoids bearing zwitterionic end-groups with attractive dipole-dipole and solvophobic interactions: a study by small-angle neutron scattering and molecular dynamics simulation.
Pu Du, Ang Li, Xin Li, Yueheng Zhang, Changwoo Do, Steven W Rick

Phys Chem Chem Phys· June 2017

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Physician activity during outpatient visits and subjective workload.
Alan Calvitti, Harry Hochheiser, Shazia Ashfaq, Kristin Bell, Yunan Chen, Steven Rick

J Biomed Inform· May 2017

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Atomistic Study of Intramolecular Interactions in the Closed-State Channelrhodopsin Chimera, C1C2.
Monika R VanGordon, Gaurav Gyawali, Steven W Rick, Susan B Rempe

Biophys J· March 2017

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Constant pH simulations of pH responsive polymers.
Arjun Sharma, J D Smith, Keisha B Walters, Steven W Rick

J Chem Phys· December 2016

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Design of Amphiphilic Polymers via Molecular Dynamics Simulations.
Arjun Sharma, Lixin Liu, Sreeja Parameswaran, Scott M Grayson, Henry S Ashbaugh, Steven W Rick

J Phys Chem B· October 2016

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