Molecular Modelling Computations - Articles - Scientific Research Publishing

Development and Evaluation of Predictive Machine Learning Models for Crude Oil Supply Chain Logistics in the USA (Articles)

Maame Korkor Prah, Amina Yakubu, Lawrence Simon Attah, Adeyemi Oluwatoba

Technology and Investment Vol.16 No.2, April 23, 2025

DOI: 10.4236/ti.2025.162005 194 Downloads 929 Views Citations
Contribution of Hydrological Modelling to the Quantification of Surface Runoff in the Ungauged Watershed of the City of Bambey (Senegal) (Articles)

El Hadji Ousmane Ndiaye, Saly Sambou, Honore Dacosta, Joseph Sarr, Boubou Aldiouma Sy

Journal of Geoscience and Environment Protection Vol.13 No.10, October 24, 2025

DOI: 10.4236/gep.2025.1310006 68 Downloads 422 Views Citations
Hybrid Enterprise Modelling: Integrating Modelling Mechanisms for Socio-Technical Systems Analysis and Design (Articles)

Amjad Fayoumi, Pericles Loucopoulos, Ayham Fayyoumi

Journal of Software Engineering and Applications Vol.7 No.1, January 6, 2014

DOI: 10.4236/jsea.2014.71002 4,220 Downloads 7,444 Views Citations
The Full Potential of Continuous System Simulation Modelling (Articles)

Leif Gustafsson, Mikael Sternad, Erik Gustafsson

Open Journal of Modelling and Simulation Vol.5 No.4, October 31, 2017

DOI: 10.4236/ojmsi.2017.54019 2,173 Downloads 5,540 Views Citations
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 4,760 Downloads 9,408 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 5,801 Downloads 10,140 Views Citations
Analyses Using SSR and DArT Molecular Markers Reveal that Ethiopian Accessions of White Lupin (Lupinus albus L.) Represent a Unique Genepool (Articles)

Rosy Raman, Raymond B. Cowley, Harsh Raman, David J. Luckett

Open Journal of Genetics Vol.4 No.2, April 10, 2014

DOI: 10.4236/ojgen.2014.42012 5,095 Downloads 7,690 Views Citations
This article belongs to the Special Issue on Genetic Diversity Research
Molecular Beam Depletion: A New Approach (Articles)

Manuel Dorado

Journal of Modern Physics Vol.5 No.12, July 25, 2014

DOI: 10.4236/jmp.2014.512116 4,017 Downloads 5,812 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 6,578 Downloads 9,013 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 2,152 Downloads 4,037 Views Citations
Molecular Materials for Energy Storage (Articles)

Lev Mourokh, Carine Edder, Wolfgang Mack, Pavel Lazarev

Materials Sciences and Applications Vol.9 No.6, May 28, 2018

DOI: 10.4236/msa.2018.96036 1,133 Downloads 2,595 Views Citations
This article belongs to the Special Issue on Electrochemical Materials
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 746 Downloads 2,146 Views Citations
Metallocene Catalyzed Homopolymerization of Propylene with a C₂ Symmetric Isospecific Zirconecene/MMAO Catalysts under Different Polymerization Conditions (Articles)

Benard Oloo Nyangoye, Benard Odhiambo Obondo

Open Journal of Organic Polymer Materials Vol.10 No.3, July 31, 2020

DOI: 10.4236/ojopm.2020.103003 659 Downloads 2,100 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 626 Downloads 1,959 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 273 Downloads 1,135 Views Citations
Mechanisms of Cholangiocarcinoma, Molecular Subtypes, and Emerging Therapeutic Strategies (Articles)

Ziao Wang, Qing Zhang

Journal of Biosciences and Medicines Vol.14 No.2, February 27, 2026

DOI: 10.4236/jbm.2026.142036 60 Downloads 335 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 4,699 Downloads 10,310 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 29,301 Downloads 95,306 Views Citations
Molecular Detection of Resistance to Rifampin and Isoniazid among Patients Eligible for Retreatment Regimen in Côte d’Ivoire in 2012 (Articles)

Kouassi N’Guessan, Timothée Ouassa, Jean-Serge Assi, André Tehe, Jean-Marc Assande, André Guei, Jacquemin Kouakou

Advances in Infectious Diseases Vol.3 No.2, June 5, 2013

DOI: 10.4236/aid.2013.32010 4,071 Downloads 7,338 Views Citations
TET2 Mutations in Ph-Negative-Myeloproliferative Neoplasms: Identification of Three Novel Mutations and Relationship with Clinical and Laboratory Findings (Articles)

Andrea Patriarca, Donatella Colaizzo, Gianluca Tiscia, Raffaele Spadano, Silvia Di Zacomo, Antonio Spadano, Ida Villanova, Maurizio Margaglione, Elvira Grandone, Alfredo Dragani

Open Journal of Blood Diseases Vol.3 No.3, September 16, 2013

DOI: 10.4236/ojbd.2013.33017 3,974 Downloads 6,072 Views Citations

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