Search Result "GLIDE"


Research Article

Assessing the Performance of GOLD, Glide and MM-GBSA on a Datasetof Hydrazide-hydrazone-based Tuberculostatics

Journal: Letters in Drug Design & Discovery
Volume: 20 Issue: 10 Year: 2023 Page: 1557-1568
Author(s):

Research Article

Performance Evaluation of Docking Programs- Glide, GOLD, AutoDock & SurflexDock, Using Free Energy Perturbation Reference Data: A Case Study of Fructose-1, 6-bisphosphatase-AMP Analogs

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 12 Year: 2020 Page: 1179-1187
Author(s): K. Kumar Reddy,R.S. Rathore,P. Srujana,R.R. Burri,C. Ravikumar Reddy,M. Sumakanth,Pallu Reddanna,M. Rami Reddy

In silico Designing and Screening of Lead Compounds to NS5-Methyltransferase of Dengue Viruses

Journal: Medicinal Chemistry
Volume: 7 Issue: 6 Year: 2011 Page: 655-662
Author(s): Dakshinamurthy Sivakumar, Thirunavukkarasu Sivaraman

Research Article

Molecular Docking Studies of Novel Thiosemicarbazone-based Indoles as Potential PI3Kα Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 11 Year: 2017 Page: 1252-1258
Author(s): Dima A. Sabbah,Kamal Sweidan

Identification of Novel β3-Adrenoceptor Agonists Using Energetic Analysis, Structure Based Pharmacophores and Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 8 Year: 2012 Page: 623-640
Author(s): Parul Tewatia,B.K. Malik,Shakti Sahi

Computer-Aided Drug Design of Pyranopyrazoles and Related Compounds for Checkpoint Kinase-1

Journal: Letters in Drug Design & Discovery
Volume: 6 Issue: 8 Year: 2009 Page: 579-584
Author(s): Rahul Ramtekkar, Kandhasamy Kumarvel, Gnanasambandam Vasuki, K. Sekar, R. Krishna

3D Structure Generation, Molecular Dynamics and Docking Studies of IRHOM2 Protein Involved in Cancer & Rheumatoid Arthritis

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 4 Year: 2015 Page: 325-335
Author(s): Utkarsh Raj,Himansu Kumar,Pritish Kumar Varadwaj

Research Article

Kaempferol as a Potential PAK4 Inhibitor in Triple Negative Breast Cancer: Extra Precision Glide Docking and Free Energy Calculation

Journal: Current Drug Discovery Technologies
Volume: 17 Issue: 5 Year: 2020 Page: 682-695
Author(s): Michael A. Arowosegbe,Oluwamuyiwa T. Amusan,Segun A. Adeola,Oluwatosin B. Adu,Israel A. Akinola,Bimpe F. Ogungbe,Olaposi I. Omotuyi,Gbemisola M. Saibu,Adewale J. Ogunleye,Ramon I. Kanmodi,Nekabari E. Lugbe,Oluwafemi J. Ogunmola,Damilola C. Ajayi,Sedoten O. Ogun,Faith O. Oyende,Ahmed O. Bello,Peter G. Ishola,Patrick E. Obasieke

Research Article

Isoform-Specific Role of Akt Kinase in Cancer and its Selective Targeting by Potential Anticancer Natural Agents

Journal: The Natural Products Journal
Volume: 10 Issue: 3 Year: 2020 Page: 322-332
Author(s): Nand Kishor Roy,Javadi Monisha,Anuj Kumar Singh,Ganesan Padmavathi,Ajaikumar B. Kunnumakkara

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