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Page 1
Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.
Mol Inform. 2016 Dec;35(11-12):555-567. doi: 10.1002/minf.201600052. Epub 2016 Aug 24.
Mol Inform. 2016.
PMID: 27554325
Review.
Correlation of membrane protein conformational and functional dynamics.
Sanganna Gari RR, Montalvo-Acosta JJ, Heath GR, Jiang Y, Gao X, Nimigean CM, Chipot C, Scheuring S.
Sanganna Gari RR, et al. Among authors: montalvo acosta jj.
Nat Commun. 2021 Jul 16;12(1):4363. doi: 10.1038/s41467-021-24660-1.
Nat Commun. 2021.
PMID: 34272395
Free PMC article.
Item in Clipboard
A Linear Interaction Energy Model for Cavitand Host-Guest Binding Affinities.
Montalvo-Acosta JJ, Pacak P, Gomes DEB, Cecchini M.
Montalvo-Acosta JJ, et al.
J Phys Chem B. 2018 Jul 5;122(26):6810-6814. doi: 10.1021/acs.jpcb.8b03245. Epub 2018 Jun 21.
J Phys Chem B. 2018.
PMID: 29863347
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Structure, substrate binding, and symmetry of the mitochondrial ADP/ATP carrier in its matrix-open state.
Montalvo-Acosta JJ, Kunji ERS, Ruprecht JJ, Dehez F, Chipot C.
Montalvo-Acosta JJ, et al.
Biophys J. 2021 Dec 7;120(23):5187-5195. doi: 10.1016/j.bpj.2021.11.002. Epub 2021 Nov 6.
Biophys J. 2021.
PMID: 34748764
Free PMC article.
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2D, 3D-QSAR and molecular docking of 4(1H)-quinolones analogues with antimalarial activities.
Jiménez Villalobos TP, Gaitán Ibarra R, Montalvo Acosta JJ.
Jiménez Villalobos TP, et al. Among authors: montalvo acosta jj.
J Mol Graph Model. 2013 Nov;46:105-24. doi: 10.1016/j.jmgm.2013.10.002. Epub 2013 Oct 14.
J Mol Graph Model. 2013.
PMID: 24185373
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Synthesis and DFT Calculations of Novel Vanillin-Chalcones and Their 3-Aryl-5-(4-(2-(dimethylamino)-ethoxy)-3-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde Derivatives as Antifungal Agents.
Illicachi LA, Montalvo-Acosta JJ, Insuasty A, Quiroga J, Abonia R, Sortino M, Zacchino S, Insuasty B.
Illicachi LA, et al. Among authors: montalvo acosta jj.
Molecules. 2017 Sep 5;22(9):1476. doi: 10.3390/molecules22091476.
Molecules. 2017.
PMID: 29240047
Free PMC article.
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