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Coarse-Grained Simulations of Aqueous Thermoresponsive Polyethers.
Polymers (Basel). 2018 Apr 27;10(5):475. doi: 10.3390/polym10050475.
Polymers (Basel). 2018.
PMID: 30966509
Free PMC article.
Molecular dynamics simulations of allosteric motions and competitive inhibition of the Zika virus helicase.
Raubenolt BA, Wong K, Rick SW.
Raubenolt BA, et al.
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
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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.
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.
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Simulation studies of polypeptoids using replica exchange with dynamical scaling and dihedral biasing.
Raubenolt BA, Rick SW.
Raubenolt BA, et al.
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
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A Perspective on Protein Structure Prediction Using Quantum Computers.
Doga H, Raubenolt B, Cumbo F, Joshi J, DiFilippo FP, Qin J, Blankenberg D, Shehab O.
Doga H, et al. Among authors: raubenolt b.
J Chem Theory Comput. 2024 May 4. doi: 10.1021/acs.jctc.4c00067. Online ahead of print.
J Chem Theory Comput. 2024.
PMID: 38703105
Review.
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The Galaxy platform for accessible, reproducible and collaborative biomedical analyses: 2022 update.
Galaxy Community.
Galaxy Community.
Nucleic Acids Res. 2022 Jul 5;50(W1):W345-W351. doi: 10.1093/nar/gkac247.
Nucleic Acids Res. 2022.
PMID: 35446428
Free PMC article.
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