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Influence of Monovalent Salts on α-Glycine Crystal Growth from Aqueous Solution: Molecular Dynamics Simulations at Constant Supersaturation Conditions.
J Phys Chem B. 2021 Oct 28;125(42):11732-11741. doi: 10.1021/acs.jpcb.1c07168. Epub 2021 Oct 13.
J Phys Chem B. 2021.
PMID: 34643406
Insights into pharmaceutical nanocrystal dissolution: a molecular dynamics simulation study on aspirin.
Greiner M, Elts E, Briesen H.
Greiner M, et al. Among authors: elts e.
Mol Pharm. 2014 Sep 2;11(9):3009-16. doi: 10.1021/mp500148q. Epub 2014 Aug 11.
Mol Pharm. 2014.
PMID: 25090160
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Capturing Crystal Shape Evolution from Molecular Simulations.
Elts E, Briesen H.
Elts E, et al.
J Chem Inf Model. 2020 Dec 28;60(12):6109-6119. doi: 10.1021/acs.jcim.0c00944. Epub 2020 Dec 7.
J Chem Inf Model. 2020.
PMID: 33284626
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Data Filtering for Effective Analysis of Crystal-Solution Interface Molecular Dynamics Simulations.
Elts E, Greiner MM, Briesen H.
Elts E, et al.
J Chem Theory Comput. 2014 Apr 8;10(4):1686-97. doi: 10.1021/ct400808d.
J Chem Theory Comput. 2014.
PMID: 26580377
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