Search Result "CASTp"


Research Article

Homology Modeling of Coronavirus Structural Proteins and Molecular Docking of Potential Drug Candidates for the Treatment of COVID-19

Journal: Coronaviruses
Volume: 2 Issue: 2 Year: 2021 Page: 241-250
Author(s): Ahmed Adebayo Ishola,Nnaemeka Tobechukwu Asogwa

Research Article

Identification of Novel Antagonists for Rab38 Protein by Homology Modeling and Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 10 Year: 2016 Page: 875-892
Author(s): Aboubakr Haredi Abdelmonsef,Ramasree Dulapalli,Thirupathi Dasari,Lavanya Souda Padmarao,Thirupathi Mukkera,Uma Vuruputuri

Research Article

A Computational Approach to Investigate the HDAC6 and HDAC10 Binding Propensity of Psidium guajava-derived Compounds as Potential Anticancer Agents

Journal: Current Drug Discovery Technologies
Volume: 18 Issue: 3 Year: 2021 Page: 423-436
Author(s): Kayode Ezekiel Adewole,Ahmed Adebayo Ishola

Predicting Protein-Ligand Binding Sites Based on an Improved Geometric Algorithm

Journal: Protein & Peptide Letters
Volume: 18 Issue: 1 Year: 2011 Page: 997-1001
Author(s): Jing He, Dong-Qing Wei, Jing-Fang Wang, Kuo-Chen Chou

Analysis of Protein Surface Patterns by Pocket Similarity Network

Journal: Protein & Peptide Letters
Volume: 15 Issue: 5 Year: 2008 Page: 448-455
Author(s): Zhi-Ping Liu, Ling-Yun Wu, Yong Wang, Xiang-Sun Zhang, Luonan Chen

Research Article

Identification of Human Acetylcholinesterase Inhibitors from the Constituents of EGb761 by Modeling Docking and Molecular Dynamics Simulations

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 1 Year: 2018 Page: 41-49
Author(s): Lihu Zhang,Dongdong Li,Fuliang Cao,Wei Xiao,Linguo Zhao,Gang Ding,Zhen zhong Wang

Structure Function Analysis of Serpin Super-Family: A Computational Approach

Journal: Protein & Peptide Letters
Volume: 21 Issue: 8 Year: 2014 Page: 714-721
Author(s): Poonam Singh,Mohamad Aman Jairajpuri

3D-QSAR Selectivity Analysis of 1-Adamantyl-3-Heteroaryl Urea Analogs as Potent Inhibitors of Mycobacterium tuberculosis

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 164-183
Author(s): Preeti Wadhwa,Sourav Bagchi,Anuj Sharma

Research Article

Comparative Proteome Analysis of Mycobacterium Tuberculosis Strains - H37Ra, H37Rv, CCDC5180, and CAS/NITR204: A Step Forward to Identify Novel Drug Targets

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 11 Year: 2020 Page: 1422-1431
Author(s): Shradheya R.R. Gupta,Ekta Gupta,Avnam Ohri,Sandeep Kumar Shrivastava,Sumita Kachhwaha,Vinay Sharma,Rupesh Kumar Mishra,Ravi Ranjan Kumar Niraj

Roles for Cavities in Protein Structure: New Insights

Journal: Current Proteomics
Volume: 5 Issue: 3 Year: 2008 Page: 157-160
Author(s): Vikash K. Dubey, M. V. Jagannadham

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