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LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields.
J Comput Chem. 2016 Apr 30;37(11):1019-29. doi: 10.1002/jcc.24295. Epub 2016 Jan 18.
J Comput Chem. 2016.
PMID: 26781073
Free PMC article.
Investigating carbohydrate based ligands for galectin-3 with docking and molecular dynamics studies.
Walker AR, Bonomi R, Popov V, Gelovani JG, Andrés Cisneros G.
Walker AR, et al. Among authors: andres cisneros g.
J Mol Graph Model. 2017 Jan;71:211-217. doi: 10.1016/j.jmgm.2016.10.018. Epub 2016 Nov 25.
J Mol Graph Model. 2017.
PMID: 27939933
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Hypothesis driven single nucleotide polymorphism search (HyDn-SNP-S).
Swett RJ, Elias A, Miller JA, Dyson GE, Andrés Cisneros G.
Swett RJ, et al. Among authors: andres cisneros g.
DNA Repair (Amst). 2013 Sep;12(9):733-40. doi: 10.1016/j.dnarep.2013.06.001. Epub 2013 Jul 5.
DNA Repair (Amst). 2013.
PMID: 23830898
Free PMC article.
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Molecular basis for short-chain thioester hydrolysis by acyl hydrolase domains in trans -acyltransferase polyketide synthases.
Fage CD, Passmore M, Tatman BP, Smith HG, Jian X, Dissanayake UC, Andrés Cisneros G, Challis GL, Lewandowski JR, Jenner M.
Fage CD, et al. Among authors: andres cisneros g.
bioRxiv [Preprint]. 2023 Aug 11:2023.08.11.552765. doi: 10.1101/2023.08.11.552765.
bioRxiv. 2023.
PMID: 37609184
Free PMC article.
Preprint.
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