Molecular Modeling; Meps Maps; Orbital Frontier; Quantum Chemical Methods - Articles

Stochastic Resonance Synergetics—Quantum Information Theory for Multidimensional Scaling (Articles)

Milan Jovovic

Journal of Quantum Information Science Vol.5 No.2，June 5, 2015

DOI: 10.4236/jqis.2015.52007 4,529 Downloads 6,229 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 6,368 Downloads 8,340 Views Citations
Characterization of Amino Acid Based Molecular Micelles with Molecular Modeling (Articles)

Alexander Billiot, Yayin Fang, Kevin F. Morris

Open Journal of Physical Chemistry Vol.9 No.4，November 29, 2019

DOI: 10.4236/ojpc.2019.94014 576 Downloads 1,516 Views Citations
Quantum Chemistry Prediction of Molecular Lipophilicity Using Semi-Empirical AM1 and Ab Initio HF/6-311++G Levels (Articles)

Ouanlo Ouattara, Nahossé Ziao

Computational Chemistry Vol.5 No.1，January 19, 2017

DOI: 10.4236/cc.2017.51004 1,999 Downloads 3,462 Views Citations
Investigation of Chiral Molecular Micelles by NMR Spectroscopy and Molecular Dynamics Simulation (Articles)

Kevin F. Morris, Eugene J. Billiot, Fereshteh H. Billiot, Kenny B. Lipkowitz, William M. Southerland, Yayin Fang

Open Journal of Physical Chemistry Vol.2 No.4，November 29, 2012

DOI: 10.4236/ojpc.2012.24032 5,389 Downloads 9,442 Views Citations
A Molecular Dynamics Simulation Study of Two Dipeptide Based Molecular Micelles: Effect of Amino Acid Order (Articles)

Kevin F. Morris, Eugene J. Billiot, Fereshteh H. Billiot, Kenny B. Lipkowitz, William M. Southerland, Yayin Fang

Open Journal of Physical Chemistry Vol.3 No.1，February 19, 2013

DOI: 10.4236/ojpc.2013.31004 4,604 Downloads 8,118 Views Citations
Docking Studies, Synthesis, and Evaluation of Antioxidant Activities of N-Alkylated, 1,2,4-Triazole, 1,3,4-Oxa-, and Thiadiazole Containing the Aminopyrazolopyridine Derivatives (Articles)

Yasser K. Abdelmonem, Farag A. El-Essawy, Saeda A. Abou El-Enein, Mona M. El-Sheikh-Amer

International Journal of Organic Chemistry Vol.3 No.3，September 24, 2013

DOI: 10.4236/ijoc.2013.33026 4,869 Downloads 8,545 Views Citations
Molecular Modeling and Synthesis of New Heterocyclic Compounds Containing Pyrazole as Anticancer Drugs (Articles)

Fiby N. Takla, Abdelbasset A. Farahat, Magda A.-A. El-Sayed, Magda N. A. Nasr

International Journal of Organic Chemistry Vol.7 No.4，December 15, 2017

DOI: 10.4236/ijoc.2017.74030 3,717 Downloads 6,315 Views Citations
This article belongs to the Special Issue on Heterocyclic Compounds
Biological Activity Relationship of Cyclic and Noncyclic Alkanes Using Quantum Molecular Descriptors (Articles)

Ahmad Nazib Alias, Zubainun Mohamed Zabidi, Nurul Aimi Zakaria, Zaidatul Salwa Mahmud, Rosliza Ali

Open Journal of Applied Sciences Vol.11 No.8，August 31, 2021

DOI: 10.4236/ojapps.2021.118070 287 Downloads 1,081 Views Citations
Theoretical Insights Elucidate Novel Active Phosphonate Esters—Cephalosporin Antibiotics’ Intermediate (Articles)

Youmin Sun, Huixue Ren, Xiaofeng Wei, Guiqin Zhang

Open Journal of Inorganic Chemistry Vol.6 No.4，October 17, 2016

DOI: 10.4236/ojic.2016.64017 1,741 Downloads 2,869 Views Citations
This article belongs to the Special Issue on Metal Complexes
Molecular Modeling and Antimicrobial Screening Studies on Some 3-Aminopyridine Transition Metal Complexes (Articles)

Islam M. I. Moustafa, Naglaa M. Mohamed, Sahar M. Ibrahim

Open Journal of Inorganic Chemistry Vol.12 No.3，July 29, 2022

DOI: 10.4236/ojic.2022.123003 248 Downloads 1,140 Views Citations
Quantum Simulation of 2p-π Electronic Hamiltonian in Molecular Ethylene by Using an NMR Quantum Computer (Articles)

Deniz Türkpençe, Azmi Gençten

Journal of Quantum Information Science Vol.3 No.2，June 13, 2013

DOI: 10.4236/jqis.2013.32012 3,540 Downloads 6,149 Views Citations
Improving the Prediction Accuracy of Soil Mapping through Geostatistics (Articles)

El-Sayed Ewis Omran

International Journal of Geosciences Vol.3 No.3，July 20, 2012

DOI: 10.4236/ijg.2012.33058 7,996 Downloads 13,164 Views Citations
Homotopy Approach to Fractional Quantum Hall Effect (Articles)

Janusz Jacak, Patrycja Łydżba, Lucjan Jacak

Applied Mathematics Vol.6 No.2，February 10, 2015

DOI: 10.4236/am.2015.62033 3,424 Downloads 4,883 Views Citations
Calculation of the Approximate Energy of Ground and Excited Stationary States in Quantum Mechanics Using Delta Method (Articles)

Farrin Payandeh, Touraj Mohammadpour

Journal of Applied Mathematics and Physics Vol.4 No.1，January 27, 2016

DOI: 10.4236/jamp.2016.41016 3,986 Downloads 5,599 Views Citations
The Statistical Experimental Design for Chemical Reactors Modeling (Articles)

Graciela Prieto, Oscar Prieto, Teresa Unzaga, Carlos Gay, Kazunori Takashima, Akira Mizuno

Applied Mathematics Vol.7 No.14，August 24, 2016

DOI: 10.4236/am.2016.714133 2,365 Downloads 3,965 Views Citations
The Comparison of Three Environmental Metrics for Cr, Pb, and Zn in the Agricultural Region of the Mid-Continent of USA (Articles)

Almesleh A. A. Najwah, Goodell Philip

Journal of Geoscience and Environment Protection Vol.9 No.4，April 26, 2021

DOI: 10.4236/gep.2021.94009 346 Downloads 998 Views Citations
Structural Characterization of the D-Tyr-tRNA^Tyr Deacylase from Bacillus lichenformis, an Organism of Great Industrial Importance (Articles)

Angshuman Bagchi

Computational Molecular Bioscience Vol.1 No.1，December 28, 2011

DOI: 10.4236/cmb.2011.11001 2,747 Downloads 6,655 Views Citations
DFT-Based Prediction of Bioconcentration Factors of Polychlorinated Biphenyls in Fish Species Using Molecular Descriptors (Articles)

Anil Kumar Soni, Pratibha Singh, Vishnu Kumar Sahu

Advances in Biological Chemistry Vol.10 No.1，February 6, 2020

DOI: 10.4236/abc.2020.101001 655 Downloads 1,607 Views Citations
Molecular Diagnosis of Sexually Transmitted Infection Reveals a High Frequency of Neisseria gonorrhoeae Infection among Male Urethritis Patients and Highlights the Usefulness of Molecular Testing for Clinical Diagnosis in Burkina Faso (Articles)

Michel Kiréopori Gomgnimbou, Azouman Da, Louis Robert W. Belem, Kobo Gnada, Karlhis Raymond Yao, Arnaud Quetin Sanou, Armel Moumouni Sanou, Soufiane Sanou, Dramane Kania

American Journal of Molecular Biology Vol.15 No.1，January 26, 2025

DOI: 10.4236/ajmb.2025.151010 41 Downloads 217 Views Citations

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