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Molecular model with quantum mechanical bonding information.
Bohórquez HJ, Boyd RJ, Matta CF. Bohórquez HJ, et al. J Phys Chem A. 2011 Nov 17;115(45):12991-7. doi: 10.1021/jp204100z. Epub 2011 Sep 6. J Phys Chem A. 2011. PMID: 21894893
Comment on "Scaling properties of information-theoretic quantities in density functional reactivity theory" by C. Rong, T. Lu, P. W. Ayers, P. K. Chattaraj and S. Liu, Phys. Chem. Chem. Phys., 2015, 17, 4977-4988.
Bohórquez HJ. Bohórquez HJ. Phys Chem Chem Phys. 2015 Dec 21;17(47):32053-6. doi: 10.1039/c5cp05140a. Phys Chem Chem Phys. 2015. PMID: 26562285
On the local representation of the electronic momentum operator in atomic systems.
Bohórquez HJ, Boyd RJ. Bohórquez HJ, et al. J Chem Phys. 2008 Jul 14;129(2):024110. doi: 10.1063/1.2953698. J Chem Phys. 2008. PMID: 18624519
QTAIM study of an alpha-helix hydrogen bond network.
Lapointe SM, Farrag S, Bohórquez HJ, Boyd RJ. Lapointe SM, et al. Among authors: bohorquez hj. J Phys Chem B. 2009 Aug 6;113(31):10957-64. doi: 10.1021/jp903635h. J Phys Chem B. 2009. PMID: 19591510
Quantum chemical analysis explains hemagglutinin peptide-MHC Class II molecule HLA-DRbeta1*0101 interactions.
Cárdenas C, Villaveces JL, Bohórquez H, Llanos E, Suárez C, Obregón M, Patarroyo ME. Cárdenas C, et al. Biochem Biophys Res Commun. 2004 Oct 29;323(4):1265-77. doi: 10.1016/j.bbrc.2004.08.225. Biochem Biophys Res Commun. 2004. PMID: 15451434
Publisher Correction: Mass & secondary structure propensity of amino acids explain their mutability and evolutionary replacements.
Bohórquez HJ, Suárez CF, Patarroyo ME. Bohórquez HJ, et al. Sci Rep. 2018 Mar 6;8(1):4273. doi: 10.1038/s41598-018-21981-y. Sci Rep. 2018. PMID: 29511270 Free PMC article.
Mass & secondary structure propensity of amino acids explain their mutability and evolutionary replacements.
Bohórquez HJ, Suárez CF, Patarroyo ME. Bohórquez HJ, et al. Sci Rep. 2017 Aug 10;7(1):7717. doi: 10.1038/s41598-017-08041-7. Sci Rep. 2017. PMID: 28798365 Free PMC article.
Assessing Peptide Binding to MHC II: An Accurate Semiempirical Quantum Mechanics Based Proposal.
Ortiz-Mahecha CA, Bohórquez HJ, Agudelo WA, Patarroyo MA, Patarroyo ME, Suárez CF. Ortiz-Mahecha CA, et al. Among authors: bohorquez hj. J Chem Inf Model. 2019 Dec 23;59(12):5148-5160. doi: 10.1021/acs.jcim.9b00672. Epub 2019 Dec 4. J Chem Inf Model. 2019. PMID: 31747514
Constructing a useful tool for characterizing amino acid conformers by means of quantum chemical and graph theory indices.
Cárdenas C, Obregón M, Llanos EJ, Machado E, Bohórquez HJ, Villaveces JL, Patarroyo ME. Cárdenas C, et al. Among authors: bohorquez hj. Comput Chem. 2002 Nov;26(6):667-82. doi: 10.1016/s0097-8485(02)00052-9. Comput Chem. 2002. PMID: 12385481