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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
136
Downloads
424
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
567
Downloads
1,135
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
426
Downloads
822
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
215
Downloads
427
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
114
Downloads
286
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
988
Downloads
1,503
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
345
Downloads
604
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
817
Downloads
1,135
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
895
Downloads
1,449
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
667
Downloads
1,177
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
6,136
Downloads
11,096
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
5,214
Downloads
5,660
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
4,695
Downloads
8,836
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
5,350
Downloads
7,909
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
3,413
Downloads
4,623
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
6,775
Downloads
12,916
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
4,241
Downloads
6,421
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
5,459
Downloads
6,975
Views
Citations
On DFT Molecular Simulation for Non-Adaptive Kernel Approximation
(Articles)
Maharavo Randrianarivony
Advances in Materials Physics and Chemistry
Vol.4 No.6
，June 18, 2014
DOI:
10.4236/ampc.2014.46013
2,163
Downloads
2,954
Views
Citations
Erratum to “On DFT Molecular Simulation for Non-Adaptive Kernel Approximation” [Advances in Materials Physics and Chemistry Vol. 4 No. 6 (June 2014) 105-115]
(Articles)
Maharavo Randrianarivony
Advances in Materials Physics and Chemistry
Vol.5 No.3
，March 6, 2015
DOI:
10.4236/ampc.2015.53012
1,643
Downloads
2,159
Views
Citations
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