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Page 1
Genetic Algorithm Approach for the Optimization of Protein Antifreeze Activity Using Molecular Simulations.
J Chem Theory Comput. 2020 Dec 8;16(12):7866-7873. doi: 10.1021/acs.jctc.0c00773. Epub 2020 Nov 17.
J Chem Theory Comput. 2020.
PMID: 33201707
Insights into Hydrophobic Ion Pairing from Molecular Simulation and Experiment.
Kozuch DJ, Ristroph K, Prud'homme RK, Debenedetti PG.
Kozuch DJ, et al.
ACS Nano. 2020 May 26;14(5):6097-6106. doi: 10.1021/acsnano.0c01835. Epub 2020 Apr 30.
ACS Nano. 2020.
PMID: 32352749
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Low temperature protein refolding suggested by molecular simulation.
Kozuch DJ, Stillinger FH, Debenedetti PG.
Kozuch DJ, et al.
J Chem Phys. 2019 Nov 14;151(18):185101. doi: 10.1063/1.5128211.
J Chem Phys. 2019.
PMID: 31731860
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Effects of Trehalose on Lipid Membranes under Rapid Cooling using All-Atom and Coarse-Grained Molecular Simulations.
Kozuch DJ, Stillinger FH, Debenedetti PG.
Kozuch DJ, et al.
J Phys Chem B. 2021 May 27;125(20):5346-5357. doi: 10.1021/acs.jpcb.1c02575. Epub 2021 May 12.
J Phys Chem B. 2021.
PMID: 33978410
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Combined molecular dynamics and neural network method for predicting protein antifreeze activity.
Kozuch DJ, Stillinger FH, Debenedetti PG.
Kozuch DJ, et al.
Proc Natl Acad Sci U S A. 2018 Dec 26;115(52):13252-13257. doi: 10.1073/pnas.1814945115. Epub 2018 Dec 7.
Proc Natl Acad Sci U S A. 2018.
PMID: 30530650
Free PMC article.
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Predicting the Flory-Huggins χ Parameter for Polymers with Stiffness Mismatch from Molecular Dynamics Simulations.
Kozuch DJ, Zhang W, Milner ST.
Kozuch DJ, et al.
Polymers (Basel). 2016 Jun 22;8(6):241. doi: 10.3390/polym8060241.
Polymers (Basel). 2016.
PMID: 30979334
Free PMC article.
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