Rick SW - Search Results

1

Molecular dynamics simulations of the flexibility and inhibition of SARS-CoV-2 NSP 13 helicase.

Raubenolt BA, Islam NN, Summa CM, Rick SW. Raubenolt BA, et al. Among authors: rick sw. J Mol Graph Model. 2022 May;112:108122. doi: 10.1016/j.jmgm.2022.108122. Epub 2022 Jan 5. J Mol Graph Model. 2022. PMID: 35021142 Free PMC article.

2

Water hydrogen degrees of freedom and the hydrophobic effect.

Islam N, Flint M, Rick SW. Islam N, et al. Among authors: rick sw. J Chem Phys. 2019 Jan 7;150(1):014502. doi: 10.1063/1.5053239. J Chem Phys. 2019. PMID: 30621426

3

Coarse-Grained Simulations of Aqueous Thermoresponsive Polyethers.

Raubenolt B, Gyawali G, Tang W, Wong KS, Rick SW. Raubenolt B, et al. Among authors: rick sw. Polymers (Basel). 2018 Apr 27;10(5):475. doi: 10.3390/polym10050475. Polymers (Basel). 2018. PMID: 30966509 Free PMC article.

4

Coarse-Grained Models for Constant pH Simulations of Carboxylic Acids.

Islam NN, Sharma A, Gyawali G, Kumar R, Rick SW. Islam NN, et al. Among authors: rick sw. J Chem Theory Comput. 2019 Aug 13;15(8):4623-4631. doi: 10.1021/acs.jctc.9b00159. Epub 2019 Jul 2. J Chem Theory Comput. 2019. PMID: 31265273

5

Molecular dynamics simulations of allosteric motions and competitive inhibition of the Zika virus helicase.

Raubenolt BA, Wong K, Rick SW. Raubenolt BA, et al. Among authors: rick sw. J Mol Graph Model. 2021 Nov;108:108001. doi: 10.1016/j.jmgm.2021.108001. Epub 2021 Aug 5. J Mol Graph Model. 2021. PMID: 34388402

6

Simulation studies of polypeptoids using replica exchange with dynamical scaling and dihedral biasing.

Raubenolt BA, Rick SW. Raubenolt BA, et al. Among authors: rick sw. J Comput Chem. 2022 Jul 5;43(18):1229-1236. doi: 10.1002/jcc.26887. Epub 2022 May 11. J Comput Chem. 2022. PMID: 35543334

7

An Implementation of Replica Exchange with Dynamical Scaling for Efficient Large-Scale Simulations.

Rick SW, Schwing GJ, Summa CM. Rick SW, et al. J Chem Inf Model. 2021 Feb 22;61(2):810-818. doi: 10.1021/acs.jcim.0c01236. Epub 2021 Jan 26. J Chem Inf Model. 2021. PMID: 33496583

8

Molecular dynamics simulations of linear and cyclic amphiphilic polymers in aqueous and organic environments.

Liu L, Parameswaran S, Sharma A, Grayson SM, Ashbaugh HS, Rick SW. Liu L, et al. Among authors: rick sw. J Phys Chem B. 2014 Jun 19;118(24):6491-7. doi: 10.1021/jp412184h. Epub 2014 Jan 15. J Phys Chem B. 2014. PMID: 24387681

9

A study of procyanidin binding to Histatin 5 using Electrospray Ionization Tandem Mass Spectrometry (ESI-MS/MS) and molecular simulations.

Shraberg J, Rick SW, Rannulu N, Cole RB. Shraberg J, et al. Among authors: rick sw. Phys Chem Chem Phys. 2015 May 14;17(18):12247-58. doi: 10.1039/c4cp05586a. Phys Chem Chem Phys. 2015. PMID: 25893227

10

Design of Amphiphilic Polymers via Molecular Dynamics Simulations.

Sharma A, Liu L, Parameswaran S, Grayson SM, Ashbaugh HS, Rick SW. Sharma A, et al. Among authors: rick sw. J Phys Chem B. 2016;120(40):10603-10610. doi: 10.1021/acs.jpcb.6b07791. Epub 2016 Oct 3. J Phys Chem B. 2016. PMID: 27696851

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