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Molecular Docking and Conceptual DFT-Based Study of Some Potential SARS-CoV-2 Inhibitors
(Articles)
Norma Flores-Holguín
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.10 No.4
,December 31, 2020
DOI:
10.4236/cmb.2020.104008
538
Downloads
1,605
Views
Citations
Chemical Reactivity Theory (CRT) Study of the Melanoidin M8: Local Conceptual Density Functional Theory Descriptors
(Articles)
Juan Frau
,
Norma Flores-Holguín
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.8 No.2
,June 7, 2018
DOI:
10.4236/cmb.2018.82004
928
Downloads
2,169
Views
Citations
Conceptual Density Functional Theory Study of the Chemical Reactivity Properties and Bioactivity Scores of the Leu-Enkephalin Opioid Peptide Neurotransmitter
(Articles)
Juan Frau
,
Norma Flores-Holguín
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.9 No.1
,March 18, 2019
DOI:
10.4236/cmb.2019.91002
741
Downloads
1,932
Views
Citations
Computational Study of the Chemical Reactivity and Bioactivity Rates of Marine Peptides Hemiasterlin and Its A and B Derivatives Used in the Cancer Treatment through Conceptual Density Functional Theory
(Articles)
Norma Flores-Holguín
,
Juan Frau
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.9 No.4
,November 25, 2019
DOI:
10.4236/cmb.2019.94008
462
Downloads
1,321
Views
Citations
DFT Study of Dimerization Sites in Imidazo[1,2-a]pyridinyl-chalcone Series
(Articles)
Bibata Konate
,
Sopi Thomas Affi
,
Nahossé Ziao
Computational Chemistry
Vol.9 No.1
,December 4, 2020
DOI:
10.4236/cc.2021.91001
396
Downloads
1,118
Views
Citations
Computational Chemistry and Molecular Modeling Techniques for the Study of Micropeptin EI-964: Insights into Its Chemical Reactivity and Potential Pharmaceutical Properties
(Articles)
Norma Flores-Holguín
,
Juan Frau
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.13 No.3
,September 13, 2023
DOI:
10.4236/cmb.2023.133003
71
Downloads
332
Views
Citations
Comparative Study of the Chemical Reactivity of Helical Peptide Models for Protein Glycation
(Articles)
Juan Frau
,
Daniel Glossman-Mitnik
Computational Chemistry
Vol.5 No.2
,April 28, 2017
DOI:
10.4236/cc.2017.52006
1,193
Downloads
2,108
Views
Citations
Chemical Reactivity Properties, Drug-Likeness Features and Bioactivity Scores of the Cholecystokinin Peptide Hormone
(Articles)
Norma Flores-Holguín
,
Juan Frau
,
Daniel Glossman-Mitnik
Computational Molecular Bioscience
Vol.9 No.2
,June 28, 2019
DOI:
10.4236/cmb.2019.92004
589
Downloads
1,484
Views
Citations
Designing Sensors Using Nano-Junctions
(Articles)
Vijay K. Lamba
,
O. P. Garg
Journal of Applied Mathematics and Physics
Vol.4 No.12
,December 29, 2016
DOI:
10.4236/jamp.2016.412217
1,025
Downloads
1,595
Views
Citations
Structural and Spectral (IR, NMR and UV/Visible) Properties of Newly Designed Boronic Acid Derivatives Containing DO3A Sensitive to Uranyl Ion: A DFT and TD-DFT Study
(Articles)
Kübra Sarikavak
,
Fatma Sevin
Computational Chemistry
Vol.5 No.4
,October 16, 2017
DOI:
10.4236/cc.2017.54012
1,258
Downloads
2,588
Views
Citations
Quantum Chemical Studies of Some Hydrazone Derivatives
(Articles)
Mahougbe T. A. Kpota Houngue
,
Maurice N’bouke
,
Bardieu Atchade
,
Rodrigue Chabi Doco
,
Urbain A. Kuevi
,
Gaston A. Kpotin
,
Salomé D. S. Kpoviessi
,
Yacole G. S. Atohoun
,
Michael Badawi
,
Jean-Baptiste Mensah
Computational Chemistry
Vol.6 No.1
,February 28, 2018
DOI:
10.4236/cc.2018.61001
905
Downloads
2,018
Views
Citations
Effect of Conceptual Change Oriented Instruction on Students’ Conceptual Understanding and Decreasing Their Misconceptions in DC Electric Circuits
(Articles)
Erdal Taşlıdere
Creative Education
Vol.4 No.4
,April 15, 2013
DOI:
10.4236/ce.2013.44041
6,809
Downloads
13,011
Views
Citations
A Critique of Mcdowell’s Demonstrative Thought in the Cognitive Process of Perception
(Articles)
Emmanuel Ola Akintona
Open Journal of Philosophy
Vol.4 No.3
,August 20, 2014
DOI:
10.4236/ojpp.2014.43045
5,508
Downloads
6,302
Views
Citations
Cognitive Translation Studies over the Last Decade: Review and Prospect
(Articles)
Shuang Lu
Open Access Library Journal
Vol.8 No.8
,August 11, 2021
DOI:
10.4236/oalib.1107765
245
Downloads
1,044
Views
Citations
A New Methodology for Process Modeling of Workflows
(Articles)
Sabah Al-Fedaghi
,
Rashid Alloughani
,
Mohammed Al Sanousi
Journal of Software Engineering and Applications
Vol.5 No.8
,August 28, 2012
DOI:
10.4236/jsea.2012.58064
5,171
Downloads
9,975
Views
Citations
Theoretical Study of Dibenzothiophene Based Electron Transport Materials
(Articles)
Asanga B. Padmaperuma
Advances in Materials Physics and Chemistry
Vol.2 No.4
,December 31, 2012
DOI:
10.4236/ampc.2012.24033
5,966
Downloads
9,011
Views
Citations
DFT and TD-DFT Study of Bis[2-(5-Amino-[1,3,4]-Oxadiazol-2-yl) Phenol](Diaqua)M(II) Complexes [M = Cu, Ni and Zn]: Electronic Structures, Properties and Analyses
(Articles)
Nyiang Kennet Nkungli
,
Julius Numbonui Ghogomu
,
Ludovid Ngouo Nogheu
,
Shridhar Ramachandra Gadre
Computational Chemistry
Vol.3 No.3
,October 28, 2015
DOI:
10.4236/cc.2015.33005
4,093
Downloads
6,508
Views
Citations
Structural and Electronic Properties of Impurities on Boron Nitride Nanotube
(Articles)
Gabrielle P. Soares
,
Silvete Guerini
Journal of Modern Physics
Vol.2 No.8
,August 12, 2011
DOI:
10.4236/jmp.2011.28102
7,555
Downloads
14,590
Views
Citations
Ab-Initio
Structural Study of SrMoO
3
Perovskite
(Articles)
Avinash Daga
,
Smita Sharma
Journal of Modern Physics
Vol.3 No.12
,December 21, 2012
DOI:
10.4236/jmp.2012.312238
4,489
Downloads
6,949
Views
Citations
Effect of Tubular Chiralities and Diameters of Single Carbon Nanotubes on Gas Sensing Behavior: A DFT Analysis
(Articles)
A. A. EL-Barbary
,
Kh. M. Eid
,
M. A. Kamel
,
H. M. Osman
,
G. H. G. H. Ismail
J. of Surface Engineered Materials and Advanced Technology
Vol.4 No.2
,April 18, 2014
DOI:
10.4236/jsemat.2014.42010
5,786
Downloads
7,651
Views
Citations
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