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OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space.
J Chem Theory Comput. 2021 Jul 13;17(7):4291-4300. doi: 10.1021/acs.jctc.1c00302. Epub 2021 Jun 7.
J Chem Theory Comput. 2021.
PMID: 34096718
Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials.
Dajnowicz S, Ghoreishi D, Modugula K, Damm W, Harder ED, Abel R, Wang L, Yu HS.
Dajnowicz S, et al. Among authors: ghoreishi d.
J Chem Theory Comput. 2020 Nov 10;16(11):6926-6937. doi: 10.1021/acs.jctc.0c00615. Epub 2020 Oct 8.
J Chem Theory Comput. 2020.
PMID: 32910652
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Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions.
Jacobson LD, Stevenson JM, Ramezanghorbani F, Ghoreishi D, Leswing K, Harder ED, Abel R.
Jacobson LD, et al. Among authors: ghoreishi d.
J Chem Theory Comput. 2022 Apr 12;18(4):2354-2366. doi: 10.1021/acs.jctc.1c00821. Epub 2022 Mar 15.
J Chem Theory Comput. 2022.
PMID: 35290063
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Fast Implementation of the Nudged Elastic Band Method in AMBER.
Ghoreishi D, Cerutti DS, Fallon Z, Simmerling C, Roitberg AE.
Ghoreishi D, et al.
J Chem Theory Comput. 2019 Aug 13;15(8):4699-4707. doi: 10.1021/acs.jctc.9b00329. Epub 2019 Jul 31.
J Chem Theory Comput. 2019.
PMID: 31314523
Free PMC article.
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Sharply Tuned pH Response of Genetic Competence Regulation in Streptococcus mutans: a Microfluidic Study of the Environmental Sensitivity of comX.
Son M, Ghoreishi D, Ahn SJ, Burne RA, Hagen SJ.
Son M, et al. Among authors: ghoreishi d.
Appl Environ Microbiol. 2015 Aug 15;81(16):5622-31. doi: 10.1128/AEM.01421-15. Epub 2015 Jun 12.
Appl Environ Microbiol. 2015.
PMID: 26070670
Free PMC article.
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