Molecular Docking Simulation - Articles - Scientific Research Publishing

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 4,585 Downloads 8,914 Views Citations
Molecular Docking and Evaluation of Antileishmania Activity of a Ruthenium Complex with Epiisopiloturine and Nitric Oxide (Articles)

Joabe Lima Araújo, Ruan Sousa Bastos, Gardênia Taveira Santos, Michel Muálem de Moraes Alves, Kayo Alves Figueiredo, Lucas Aires de Sousa, Ionara Nayana Gomes Passos, Fernando Aécio de Amorim Carvalho, Francisco das Chagas Alves Lima, Jefferson Almeida Rocha

Journal of Biosciences and Medicines Vol.8 No.5，April 30, 2020

DOI: 10.4236/jbm.2020.85005 573 Downloads 2,008 Views Citations
Insight of Natural Compounds Halimane Diterpenoids against Mycobacterium tuberculosis: Virtual Screening, DFT, Drug-Likeness, and Molecular Dynamics Approach (Articles)

Laurent Gael Eyia Andiga, Boris Davy Bekono, Désiré Mama Bikele, Pie Pascal Onguéné Amoa, Luc Calvin Owono Owono, Luc Léonard Mbaze Meva’a

Computational Molecular Bioscience Vol.14 No.2，May 7, 2024

DOI: 10.4236/cmb.2024.142003 115 Downloads 421 Views Citations
Virtual Screening and Mechanism Analysis of Effective Components from Several Chinese Herbs to Inhibit dPLA2 of Deinagkistrodon acutus Venom (Articles)

Hongbin Zhang, Xingyang Xiao, Mengyi Lai, Yi Gong, Jianzhong Huang

Pharmacology & Pharmacy Vol.15 No.11，November 13, 2024

DOI: 10.4236/pp.2024.1511021 61 Downloads 290 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 4,528 Downloads 9,840 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 29,125 Downloads 94,876 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 326 Downloads 1,592 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 4,534 Downloads 7,814 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 693 Downloads 1,729 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 4,732 Downloads 8,674 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 989 Downloads 2,862 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 127 Downloads 370 Views Citations
This article belongs to the Special Issue on Application of Mathematical Models in Physics and Engineering
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 5,635 Downloads 9,655 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 8,344 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 474 Downloads 1,365 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 156 Downloads 593 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
The Complementarity Effect for Cdc25 Phosphatase Inhibitors (Articles)

Wassila Soufi, Meriem Merad, Faïza Boukli, Saïd Ghalem

Advances in Molecular Imaging Vol.1 No.2，August 5, 2011

DOI: 10.4236/ami.2011.12003 4,828 Downloads 14,493 Views Citations
Biophysical Characterization of Genistein in Its Natural Carrier Human Hemoglobin Using Spectroscopic and Computational Approaches (Articles)

Biswapathik Pahari, Sandipan Chakraborty, Bidisha Sengupta, Sudip Chaudhuri, William Martin, Jasmine Taylor, Jordan Henley, Donald Davis, Pradip K. Biswas, Amit K. Sharma, Pradeep K. Sengupta

Food and Nutrition Sciences Vol.4 No.8A，July 29, 2013

DOI: 10.4236/fns.2013.48A011 4,959 Downloads 7,609 Views Citations
This article belongs to the Special Issue on Antioxidant Research in Food Science
Binding of Quinoline-Based Inhibitors to Plasmodium falciparum Lactate Dehydrogenase: A Molecular Docking Study (Articles)

Victor F. Waingeh, Adam T. Groves, Jeremy A. Eberle

Open Journal of Biophysics Vol.3 No.4，October 24, 2013

DOI: 10.4236/ojbiphy.2013.34034 4,969 Downloads 8,701 Views Citations

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