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Hugo J Bohórquez
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Year
Molecular model with quantum mechanical bonding information
HJ Bohórquez, RJ Boyd, CF Matta
The Journal of Physical Chemistry A 115 (45), 12991-12997, 2011
992011
Quantum biochemistry
CF Matta ED
John Wiley & Sons 1, 978, 2010
88*2010
The localized electrons detector as an ab initio representation of molecular structures
HJ Bohórquez, CF Matta, RJ Boyd
International Journal of Quantum Chemistry 110 (13), 2418-2425, 2010
802010
QTAIM study of an α-helix hydrogen bond network
SM LaPointe, S Farrag, HJ Bohórquez, RJ Boyd
The Journal of Physical Chemistry B 113 (31), 10957-10964, 2009
672009
The kernel energy method: Application to graphene and extended aromatics
L Huang, HJ Bohorquez, CF Matta, L Massa
International Journal of Quantum Chemistry 111 (15), 4150-4157, 2011
542011
A localized electrons detector for atomic and molecular systems
HJ Bohórquez, RJ Boyd
Theoretical Chemistry Accounts 127, 393-400, 2010
502010
On the local representation of the electronic momentum operator in atomic systems
HJ Bohórquez, RJ Boyd
The Journal of chemical physics 129 (2), 2008
412008
Electronic energy and multipolar moments characterize amino acid side chains into chemically related groups
HJ Bohórquez, M Obregón, C Cárdenas, E Llanos, C Suárez, ...
The Journal of Physical Chemistry A 107 (47), 10090-10097, 2003
312003
Is the size of an atom determined by its ionization energy?
HJ Bohórquez, RJ Boyd
Chemical Physics Letters 480 (1-3), 127-131, 2009
292009
Quantum chemical analysis explains hemagglutinin peptide–MHC Class II molecule HLA-DRβ1* 0101 interactions
C Cárdenas, JL Villaveces, H Bohórquez, E Llanos, C Suárez, M Obregón, ...
Biochemical and biophysical research communications 323 (4), 1265-1277, 2004
232004
Constructing a useful tool for characterizing amino acid conformers by means of quantum chemical and graph theory indices
C Cárdenas, M Obregón, EJ Llanos, E Machado, HJ Bohórquez, ...
Computers & chemistry 26 (6), 667-682, 2002
152002
Semi-empirical quantum evaluation of peptide–MHC class II binding
R González, CF Suárez, HJ Bohórquez, MA Patarroyo, ME Patarroyo
Chemical Physics Letters 668, 29-34, 2017
112017
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 …
HJ Bohórquez
Physical Chemistry Chemical Physics, 2015
82015
Mass & secondary structure propensity of amino acids explain their mutability and evolutionary replacements
HJ Bohórquez, CF Suárez, ME Patarroyo
Scientific Reports 7 (1), 7717, 2017
72017
Assessing peptide binding to MHC II: an accurate semiempirical quantum mechanics based proposal
CA Ortiz-Mahecha, HJ Bohórquez, WA Agudelo, MA Patarroyo, ...
Journal of Chemical Information and Modeling 59 (12), 5148-5160, 2019
62019
The Pauli Energy Grows Exponentially With The Electronic Localization
HJ Bohórquez, A Reyes
Molecular Physics 112 (3-4), 416-421, 2014
42014
Quantum Biochemistry; Matta, CF, Ed
HJ Bohórquez, C Cárdenas
Wiley-VCH, 2010
42010
Methods in biocomputational chemistry: a lesson from the amino acids
HJ Bohórquez, C Cárdenas, CF Matta, RJ Boyd, ME Patarroyo
Quantum Biochemistry, 403-421, 2010
42010
Local Quantum Chemistry
HJ Bohorquez
Dalhousie University, 2012
32012
Scale-invariance of the topological equations of the density per particle
HJ Bohórquez
Computational and Theoretical Chemistry 1053, 38-43, 2015
22015
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Articles 1–20