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Coarse-Grained Modeling of the Water/Alkane Wetting and Dewetting Processes on Fluorinated Coatings.
Langmuir. 2024 Nov 20. doi: 10.1021/acs.langmuir.4c01560. Online ahead of print.
Langmuir. 2024.
PMID: 39566037
Buffer Screening of Protein Formulations Using a Coarse-Grained Protocol Based on Medicinal Chemistry Interactions.
Petris PC, Sweere AJM.
Petris PC, et al. Among authors: sweere ajm.
J Phys Chem B. 2024 Oct 3;128(39):9353-9362. doi: 10.1021/acs.jpcb.4c04105. Epub 2024 Sep 25.
J Phys Chem B. 2024.
PMID: 39318336
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Accuracy Test of the OPLS-AA Force Field for Calculating Free Energies of Mixing and Comparison with PAC-MAC.
Sweere AJM, Fraaije JGEM.
Sweere AJM, et al.
J Chem Theory Comput. 2017 May 9;13(5):1911-1923. doi: 10.1021/acs.jctc.6b01106. Epub 2017 Apr 24.
J Chem Theory Comput. 2017.
PMID: 28418655
Free PMC article.
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Force-Field Based Quasi-Chemical Method for Rapid Evaluation of Binary Phase Diagrams.
Sweere AJ, Fraaije JG.
Sweere AJ, et al.
J Phys Chem B. 2015 Nov 5;119(44):14200-9. doi: 10.1021/acs.jpcb.5b06100. Epub 2015 Oct 14.
J Phys Chem B. 2015.
PMID: 26418484
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