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 4,616 Downloads 9,013 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 633 Downloads 2,152 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 144 Downloads 539 Views Citations
Computational Insights into Moxifloxacin Resistance Conferred in Asn499 Mutants of Mycobacterium tuberculosis DNA Gyrase (Articles)

MunMyong Choe, ChungIl Ri, ChunHyok Ku, JiUng Hwang, SangIk Pak, Qian Lu

Journal of Biosciences and Medicines Vol.13 No.8，August 15, 2025

DOI: 10.4236/jbm.2025.138013 34 Downloads 119 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 85 Downloads 463 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 4,547 Downloads 9,911 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 29,156 Downloads 94,963 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 356 Downloads 1,726 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 4,564 Downloads 7,908 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 705 Downloads 1,799 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 4,770 Downloads 8,782 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 1,024 Downloads 3,036 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 146 Downloads 450 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 5,663 Downloads 9,754 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 6,397 Downloads 8,470 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 495 Downloads 1,470 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 187 Downloads 758 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 2,775 Downloads 6,730 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 4,859 Downloads 14,592 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 4,990 Downloads 7,732 Views Citations
This article belongs to the Special Issue on Antioxidant Research in Food Science

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