Molecular Modeling - Articles - Scientific Research Publishing

In Silico Exploration of New Inhibitors of Protein Kinases Containing an N-Phenylbenzamide Linker: A Combination of Docking and Molecular Dynamics Modeling, Pharmacophore Modeling and Virtual Screening (Articles)

Aliaksandr Faryna, Elena Kalinichenko

Open Journal of Medicinal Chemistry Vol.15 No.1, March 28, 2025

DOI: 10.4236/ojmc.2025.151001 109 Downloads 678 Views Citations
Chiral Recognition of Dansyl Derivatives with an Amino Acid-Based Molecular Micelle: A Molecular Dynamics Investigation (Articles)

Mauro Garcia, Nathan Black, Eugene Billiot, Fereshteh Billiot, Kevin F. Morris, Yayin Fang

Open Journal of Physical Chemistry Vol.11 No.2, May 26, 2021

DOI: 10.4236/ojpc.2021.112004 478 Downloads 1,716 Views Citations
Computer-assisted anti-AIDS drug development: cyclophilin B against the HIV-1 subtype A V3 loop (Articles)

Alexander M. Andrianov, Ivan V. Anishchenko

Health Vol.2 No.7, July 23, 2010

DOI: 10.4236/health.2010.27100 5,563 Downloads 10,146 Views Citations
Adsorptive Interaction of Chiral Amino Acids on β-Cyclodextrin Bonded to Silica Particles (Articles)

Abhijit Banik, Monali Dutta Saikia

Journal of Encapsulation and Adsorption Sciences Vol.3 No.1, March 29, 2013

DOI: 10.4236/jeas.2013.31005 4,330 Downloads 7,717 Views Citations
Thermal, infrared spectroscopy and molecular modeling characterization of bone: An insight in the apatite-collagen type I interaction (Articles)

Alejandro Heredia, Maria Colin-Garcia, Miguel A. Peña-Rico, Luis F. L. Aguirre Beltrán, José Grácio, Flavio F. Contreras-Torres, Andrés Rodríguez-Galván, Lauro Bucio, Vladimir A. Basiuk

Advances in Biological Chemistry Vol.3 No.2, April 30, 2013

DOI: 10.4236/abc.2013.32027 5,156 Downloads 9,440 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 1,442 Downloads 2,713 Views Citations
Small Molecular Weight Compounds Antagonistic to Amyloid Peptide_25-35 (Articles)

W. Robert Williams

Journal of Biosciences and Medicines Vol.9 No.1, January 21, 2021

DOI: 10.4236/jbm.2021.91004 534 Downloads 1,422 Views Citations
In-Silico Identification of Anticancer Compounds; Ligand-Based Pharmacophore Approach against EGFR Involved in Breast Cancer (Articles)

Irum Khalid, Tassadaq Hussain Jafar, Ahsanullah Unar, Rabia Rasool, Ayesha Sahar, Hamid Rashid

Advances in Breast Cancer Research Vol.10 No.3, July 29, 2021

DOI: 10.4236/abcr.2021.103010 539 Downloads 2,634 Views Citations
Avocado Fruit Defensin (PaDef) Promote Trypsin and Chymotrypsin Enzyme Activity: A Computational Approach (Articles)

Cinthya Estefani López-Aguilar, Karen Astrid Ortiz-Vargas, Silvia Valdés-Rodríguez, Pedro Navarro-Santos, Luis María Suárez-Rodríguez, Mariela Gómez-Romero, Alejandra Ochoa-Zarzosa, Joel Edmundo López-Meza, Rodolfo López-Gómez

American Journal of Plant Sciences Vol.17 No.1, January 23, 2026

DOI: 10.4236/ajps.2026.171006 71 Downloads 401 Views Citations
Characterization of Cassava Root Husk Powder: Equilibrium, Kinetic and Modeling Studies as Bioadsorbent for Copper(II) and Lead(II) (Articles)

Kaupa Philip, Rebecca Jacob, Janarthanan Gopalakrishnan

Journal of Encapsulation and Adsorption Sciences Vol.11 No.2, June 8, 2021

DOI: 10.4236/jeas.2021.112004 482 Downloads 1,972 Views Citations
In Silico Modeling of C1 Metabolism (Articles)

Santhiya Kothandaram, Prabhakar Deonikar, Mrudhuula Mohan, Vyshali Venugopal, V. A. Shiva Ayyadurai

American Journal of Plant Sciences Vol.6 No.9, June 17, 2015

DOI: 10.4236/ajps.2015.69144 4,292 Downloads 6,937 Views Citations
Molecular Weight Determination of a Protease Extracted from Mucor pusillus: Comparison Methods (Articles)

Nouani Abdelouahab, Belhamiche Nabila, Slamani Roza, Belbraouet Slimane, Dako Etienne, Audet Pascal, Bellal Mohand Mouloud

Food and Nutrition Sciences Vol.6 No.3, March 13, 2015

DOI: 10.4236/fns.2015.63035 4,289 Downloads 5,603 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 755 Downloads 2,030 Views Citations
Rylene Dielectrophores for Capacitive Energy Storage (Articles)

Andrey Borzenko, Carine Edder, Lev Mourokh, Pavel Lazarev

Materials Sciences and Applications Vol.9 No.6, May 31, 2018

DOI: 10.4236/msa.2018.96038 906 Downloads 2,356 Views Citations
This article belongs to the Special Issue on Electrochemical Materials
Detecting Variation in the Rate of Molecular Evolution in Different Lineages of Mammals (Articles)

Sammer M. Marzouk

Open Journal of Statistics Vol.8 No.5, September 20, 2018

DOI: 10.4236/ojs.2018.85052 1,155 Downloads 2,429 Views Citations
Spectral Characterization of 4-Mercaptopyridine (4-Mpy) Aggregates in Aqueous Solution (Articles)

Syed K. Islam, Neema B. Rock

American Journal of Analytical Chemistry Vol.16 No.8, August 15, 2025

DOI: 10.4236/ajac.2025.168011 79 Downloads 537 Views Citations
Quantum molecular dynamics simulation formultifragmentation resulting from an expandingnuclear matter (Articles)

Atef Abdel-hafiez, M. A. Khalifa, A. Abd El-Daiem

Natural Science Vol.3 No.7, July 25, 2011

DOI: 10.4236/ns.2011.37082 5,092 Downloads 9,369 Views Citations
Human endogenous retroviruses: Their possible role in the molecular etiology of the schizophrenia (Articles)

Raúl Alelú-Paz, Ignacio Iturrieta-Zuazo

Open Journal of Genetics Vol.2 No.1, March 2, 2012

DOI: 10.4236/ojgen.2012.21009 6,667 Downloads 12,621 Views Citations
RAPD-SCAR Markers: An Interface Tool for Authentication of Traits (Articles)

Sameer S. Bhagyawant

Journal of Biosciences and Medicines Vol.4 No.1, December 25, 2015

DOI: 10.4236/jbm.2016.41001 7,078 Downloads 13,264 Views Citations
Molecular Study of Rickettsiae in Serum Cattle (Articles)

Lourdes Lledó, Consuelo Giménez-Pardo, Rufino Álamo

Open Journal of Preventive Medicine Vol.8 No.8, August 30, 2018

DOI: 10.4236/ojpm.2018.88022 870 Downloads 1,931 Views Citations

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