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Physicochemical 2D-Qsar and 3D Molecular Docking Studies on N-Chlorosulfonyl Isocyanate Analogs as Sterol O-Acyl-Transferase-1 “Soat-1” Inhibitors
(Articles)
Khalid El Akri
,
Rokaya Mouhibi
,
Mohamed Zahouily
,
Naîma Hanafi
,
Moulay Abdellah Bahlaoui
Open Journal of Medicinal Chemistry
Vol.3 No.4
,December 3, 2013
DOI:
10.4236/ojmc.2013.34013
4,937
Downloads
7,524
Views
Citations
Molecular Docking Studies on Anticonvulsant Enaminones Inhibiting Voltage-Gated Sodium Channels
(Articles)
Yayin Fang
,
Jamiya Kirkland
,
Isis J. Amaye
,
Patrice Jackson-Ayotunde
,
Matthew George Jr.
Open Journal of Physical Chemistry
Vol.9 No.4
,November 29, 2019
DOI:
10.4236/ojpc.2019.94015
546
Downloads
1,425
Views
Citations
Exploring QSARs for Inhibitory Activity of Cyclic Urea and Nonpeptide-Cyclic Cyanoguanidine Derivatives HIV-1 Protease Inhibitors by Artificial Neural Network
(Articles)
Omar Deeb
,
Mohammad Jawabreh
Advances in Chemical Engineering and Science
Vol.2 No.1
,December 31, 2011
DOI:
10.4236/aces.2012.21010
5,910
Downloads
9,931
Views
Citations
Improved the Prediction of Multiple Linear Regression Model Performance Using the Hybrid Approach: A Case Study of Chlorophyll-a at the Offshore Kuala Terengganu, Terengganu
(Articles)
Muhamad Safiih Lola
,
Mohd Noor Afiq Ramlee
,
G. Sugan Gunalan
,
Nurul Hila Zainuddin
,
Razak Zakariya
,
MdSuffian Idris
,
Idham Khalil
Open Journal of Statistics
Vol.6 No.5
,October 18, 2016
DOI:
10.4236/ojs.2016.65065
1,576
Downloads
3,803
Views
Citations
Exploring MIA-QSARs for farnesyltransferase inhibitory effect of antimalarial compounds refined by docking simulations
(Articles)
Omar Deeb
,
Sherin Alfalah
,
Matheus P. Freitas
,
Elaine F. F. da Cunha
,
Teodorico C. Ramalho
Journal of Biophysical Chemistry
Vol.3 No.1
,February 15, 2012
DOI:
10.4236/jbpc.2012.31008
5,912
Downloads
10,189
Views
Citations
Molecular docking investigation for Indonesian H274Y mutant neuraminidase type 1 with neuraminidase inhibitors
(Articles)
Sigit Jaya Herlambang
,
Rosari Saleh
American Journal of Molecular Biology
Vol.2 No.1
,December 30, 2011
DOI:
10.4236/ajmb.2012.21006
4,423
Downloads
9,615
Views
Citations
Insilico
studies of 2-methylheptyl isonicotinate produced by
Streptomyces
sps. 201 against dihydrodipicolinate synthase enzyme of
Mycobacterium tuberculosis
(Articles)
Salam Pradeep Singh
,
Rajib Lochan Bezbaruah
,
Tarun Chandra Bora
Journal of Biophysical Chemistry
Vol.3 No.3
,August 28, 2012
DOI:
10.4236/jbpc.2012.33027
29,046
Downloads
94,672
Views
Citations
In Silico Docking of Rhodanine Derivatives and 3D-QSAR Study to Identify Potent Prostate Cancer Inhibitors
(Articles)
Koffi Alexis Respect Kouassi
,
Adenidji Ganiyou
,
Diomande Gbe Gondo Didier
,
Anoubilé Benié
,
Ziao Nahossé
Computational Chemistry
Vol.10 No.2
,February 18, 2022
DOI:
10.4236/cc.2022.102002
241
Downloads
1,183
Views
Citations
Computational modeling studies on anti-HIV-1 non-nucleoside reverse transcriptase inhibition by dihydroalkoxybenzyloxopyrimidines analogues: an electrotopological atomistic approach
(Articles)
Nitin S. Sapre
,
Tarang Bhati
,
Swagata Gupta
,
Nilanjana Pancholi
,
Urmila Raghuvanshi
,
Divya Dubey
,
Vandana Rajopadhyay
,
Neelima Sapre
Journal of Biophysical Chemistry
Vol.2 No.3
,August 9, 2011
DOI:
10.4236/jbpc.2011.23041
4,832
Downloads
9,076
Views
Citations
Structural analyses of the interactions of SoxY and SoxZ from thermo-neutrophilic
Hydrogenobacter thermophilus
(Articles)
Angshuman Bagchi
,
Tapash Chandra Ghosh
Journal of Biophysical Chemistry
Vol.2 No.4
,November 9, 2011
DOI:
10.4236/jbpc.2011.24047
4,450
Downloads
7,583
Views
Citations
Study on the Interactions of Two Isomer Selaginellins as Novel Small Molecule Inhibitors Targeting PTP1B by Docking and Molecular Dynamics Simulations
(Articles)
Li Wang
,
Yi Wang
,
Dan Meng
,
Honglei Li
Open Access Library Journal
Vol.5 No.2
,February 27, 2018
DOI:
10.4236/oalib.1104277
642
Downloads
1,528
Views
Citations
Quantitative Structure-Activity Relationship Study of a Benzimidazole-Derived Series Inhibiting
Mycobacterium tuberculosis H37Rv
(Articles)
Georges Stéphane Dembélé
,
Mamadou Guy-Richard Koné
,
Fandia Konate
,
Doh Soro
,
Nahossé Ziao
Computational Chemistry
Vol.10 No.2
,April 12, 2022
DOI:
10.4236/cc.2022.102004
190
Downloads
917
Views
Citations
Screening of Potent Inhibitor of H1N1 Influenza NS1 CPSF30 Binding Pocket by Molecular Docking
(Articles)
Li Zhang
,
Jian Zhao
,
Guowei Ding
,
Xuejiao Li
,
Hongsheng Liu
Advances in Infectious Diseases
Vol.2 No.4
,December 5, 2012
DOI:
10.4236/aid.2012.24015
4,607
Downloads
8,351
Views
Citations
Anti-Cancer Activity and Molecular Docking of Some Pyrano[3,2‑c]quinoline Analogues
(Articles)
Abdeltawab M. Saeed
,
Ibrahim M. Abdou
,
Alaa A. Salem
,
Mohammad A. Ghattas
,
Noor Atatreh
,
Shaikha S. AlNeyadi
Open Journal of Medicinal Chemistry
Vol.10 No.1
,March 5, 2020
DOI:
10.4236/ojmc.2020.101001
805
Downloads
2,298
Views
Citations
Application of a Pulsed Electric Field to Modify the Free Energy of the Active Site of an Azoreductase
(Articles)
Jesus Magyber de Jesus Miranda
,
Pedro Guillermo Reyes-Romero
,
Jorge Mulia-Rodríguez
,
Daniel Osorio-González
Journal of Applied Mathematics and Physics
Vol.12 No.1
,January 31, 2024
DOI:
10.4236/jamp.2024.121019
49
Downloads
148
Views
Citations
This article belongs to the Special Issue on
Application of Mathematical Models in Physics and Engineering
Prediction of a neutralizing epitope of a H5N1 virus hemagglutinin complexed with an antibody variable fragment using molecular dynamics simulation
(Articles)
Cenmidtal C. Mulyanto
,
Rosari Saleh
Journal of Biophysical Chemistry
Vol.2 No.3
,August 9, 2011
DOI:
10.4236/jbpc.2011.23031
4,502
Downloads
8,708
Views
Citations
Interaction of Cationic and Anionic Phthalocyanines with Adenosine Deaminase, Molecular Dynamics Simulation and Docking Studies
(Articles)
Davood Ajloo
,
Seyyed Morteza Fazeli
,
Farhad Janbaz Amirani
Computational Molecular Bioscience
Vol.3 No.4
,December 19, 2013
DOI:
10.4236/cmb.2013.34010
5,535
Downloads
9,351
Views
Citations
Molecular Modeling, Docking and ADMET of Dimethylthiohydantoin Derivatives for Prostate Cancer Treatment
(Articles)
Khaled Lotfy
Journal of Biophysical Chemistry
Vol.6 No.4
,November 4, 2015
DOI:
10.4236/jbpc.2015.64010
6,273
Downloads
8,004
Views
Citations
Molecular Modeling and Molecular Dynamics Simulation Studies on the Selective Binding Mechanism of MTHFD2 Inhibitors
(Articles)
Mengyang Qu
Computational Molecular Bioscience
Vol.12 No.1
,March 7, 2022
DOI:
10.4236/cmb.2022.121001
385
Downloads
1,024
Views
Citations
In
Silico
Screening of Potential Inhibitors against dPLA2 from Named Chinese Herbs for Identification of Compounds with Antivenom Effects Due to
Deinagkistrodon acutus
Snake Bites
(Articles)
Xingyang Xiao
,
Mengyi Lai
,
Zechang Rao
,
Jianzhong Huang
,
Yiwei Xie
,
Hongbin Zhang
American Journal of Molecular Biology
Vol.14 No.3
,May 15, 2024
DOI:
10.4236/ajmb.2024.143009
36
Downloads
104
Views
Citations
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