Search Result "MRC docking"
Accounting for Induced-Fit Effects in Docking: What is Possible and What is Not?
Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 179-191
Author(s): Christoph A. Sotriffer
The Challenge of Considering Receptor Flexibility in Ligand Docking and Virtual Screening
Journal: Current Computer-Aided Drug Design
Volume: 1 Issue: 4 Year: 2005 Page: 423-440
Author(s): Claudio N. Cavasotto, Andrew J.W. Orry, Ruben A. Abagyan
Synthesis, Characterization, Antitumor Potential, BSA and DNA BindingProperties, and Molecular Docking Study of Some Novel 3-Hydroxy-3-Pyrrolin-2-Ones
Journal: Medicinal Chemistry
Volume: 18 Issue: 3 Year: 2022 Page: 337-352
Author(s): Nenad JoksimoviÄ,Jelena PetronijeviÄ,Emilija MiloviÄ,Nenad JankoviÄ,Dejan BaskiÄ,Suzana PopoviÄ,Danijela TodoroviÄ,Sanja MatiÄ,Milan VraneÅ¡,Aleksandar Tot
Screening Novel SAHA Derivatives as Anti-lung Carcinoma Agents: Synthesis, Biological Evaluation, Docking Studies and Further Mechanism Research between Apoptosis and Autophagyetween Apoptosis and Autophagy
Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 15 Issue: 10 Year: 2015 Page: 1277-1284
Author(s): Weibin Huang,Song Zhang,Zhicheng Yang,Binghong Feng
3D-QSAR Assisted Design of Novel 7-Deazapurine Derivatives as TNNI3K Kinase Inhibitors Using Molecular Docking and Molecular Dynamics Simulation
Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 2 Year: 2020 Page: 155-168
Author(s): Pavithra K. Balasubramanian,Anand Balupuri,Swapnil P. Bhujbal,Seung Joo Cho
Half-lantern Cyclometalated Platinum(II) Complexes as Anticancer Agents: Molecular Docking, Apoptosis, Cell Cycle Analysis, and Cytotoxic Activity Evaluations
Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 21 Issue: 0 Year: 2021 Page: 1-10
Author(s): Fatemeh Hajipour,Masoud Mahdavinia,Masood Fereidoonnezhad
Synthesis, Anticancer Evaluation and Synergistic Effects with cisplatin of Novel Palladium Complexes: DNA, BSA Interactions and Molecular Docking Study
Journal: Medicinal Chemistry
Volume: 16 Issue: 1 Year: 2020 Page: 78-92
Author(s): Nenad JoksimoviÄ,Nenad JankoviÄ,Jelena PetronijeviÄ,Dejan BaskiÄ,Suzana Popovic,Danijela TodoroviÄ,Milan ZariÄ,Olivera KlisuriÄ,Milan VraneÅ¡,Aleksandar Tot,Zorica BugarÄiÄ
Design, Synthesis, Molecular Docking, Dynamics and in vitro Evaluation of Novel 2-substituted-1-hydroxyethane-1, 1-bis(phosphonic acid) Derivatives as Human Farnesyl Pyrophosphate Synthase Inhibitors with Expected Anticancer Activity
Journal: Current Pharmaceutical Design
Volume: 29 Issue: 1 Year: 2023 Page: 48-59
Author(s): Mohammed A. Khedr,Wafaa A. Zaghary,Reem I. Al-Wabli,Maha S. Almutairi
Recent Advances in Computer-Aided Drug Design as Applied to Anti-Influenza Drug Discovery
Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 16 Year: 2014 Page: 1875-1889
Author(s): Prema L. Mallipeddi,Gyanendra Kumar,Stephen W. White,Thomas R. Webb
Platinum(II) Complexes of 3-Hydroxypyridine-2-Carboxaldehyde, N(4)-Methyland N(4)-Pyrrolidinyl Thiosemicarbazones: Synthesis, Characterization, andPrimary Anticancer Screening against HeLa Cells, and Molecular Docking
Journal: Current Indian Science
Volume: 1 Issue: 1 Year: 2023 Page: 1-9
Author(s): Paras Nath Yadav,Motee Lal Sharma,Yuba Raj Pokharel