Search Result "docking calculation"


Review Article

Advances in Docking

Journal: Current Medicinal Chemistry
Volume: 26 Issue: 42 Year: 2019 Page: 7555-7580
Author(s): Vladimir B. Sulimov,Danil C. Kutov,Alexey V. Sulimov

Computational Aspects of Organochlorine Compounds: DFT Study and Molecular Docking Calculations

Ebook: Computational Toxicology for Drug Safety and a Sustainable Environment
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815196986123010009

Flexibility in the Molecular Design of Acetylcholinesterase Reactivators: Probing Representative Conformations by Chemometric Techniques and Docking/QM Calculations

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 5 Year: 2016 Page: 360-371
Author(s): Willian E.A. de Lima,Ander F. Pereira,Alexandre A. de Castro,Elaine F.F. da Cunha,Teodorico C. Ramalho

Hierarchical Docking of Databases of Multiple Ligand Conformations

Journal: Current Topics in Medicinal Chemistry
Volume: 5 Issue: 8 Year: 2005 Page: 739-749
Author(s): David M. Lorber, Brian K. Shoichet

Review Article

Advances in the Treatment of Explicit Water Molecules in Docking and Binding Free Energy Calculations

Journal: Current Medicinal Chemistry
Volume: 26 Issue: 42 Year: 2019 Page: 7598-7622
Author(s): Xiao Hu,Irene Maffucci,Alessandro Contini

Review Article

Consensus Docking in Drug Discovery

Journal: Current Bioactive Compounds
Volume: 16 Issue: 3 Year: 2020 Page: 182-190
Author(s): Giulio Poli,Tiziano Tuccinardi

Computational Intelligence Methods for Docking Scores

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 1 Year: 2009 Page: 56-68
Author(s): David Hecht, Gary B. Fogel

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

Review Article

Docking Paradigm in Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 6 Year: 2021 Page: 507-546
Author(s): Vladimir B. Sulimov,Danil C. Kutov,Anna S. Taschilova,Ivan S. Ilin,Eugene E. Tyrtyshnikov,Alexey V. Sulimov

Molecular Docking Studies

Ebook: Quick Guideline for Computational Drug Design
Volume: 1 Year: 2018
Author(s): Sheikh Arslan Sehgal,Rana Adnan Tahir,A. Hammad Mirza,Asif Mir
Doi: 10.2174/9781681086033118010011

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