Search Result "docking calculations"
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
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
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
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
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