Results 21 to 30 of about 629,692 (340)
Christian Journal for Global Health, 2017 Life saving midwifery knowledge must reach the key influential stakeholders in developing countries if the maternal death rate is to be reduced. The church holds the influence and has the networks and training institutions that can be fully expanded to ...
Margaret Lynne Docking
doaj +1 more source
AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility
Journal of Computational Chemistry, 2009 We describe the testing and release of AutoDock4 and the accompanying graphical user interface AutoDockTools. AutoDock4 incorporates limited flexibility in the receptor.
G. Morris +6 more
semanticscholar +1 more source
Journal of Computational Chemistry, 2009 AutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately two orders of magnitude speed‐up compared with the molecular docking software previously developed in our lab (AutoDock 4 ...
Oleg Trott, A. Olson
semanticscholar +1 more source
Nucleic Acids Res., 2022 Protein-ligand blind docking is a powerful method for exploring the binding sites of receptors and the corresponding binding poses of ligands. It has seen wide applications in pharmaceutical and biological researches.
Yang Liu +5 more
semanticscholar +1 more source
HexServer : an FFT-based protein docking server powered by graphics processors [PDF]
, 2010 HexServer (http://hexserver.loria.fr/) is the first Fourier transform (FFT)-based protein docking server to be powered by graphics processors. Using two graphics processors simultaneously, a typical 6D docking run takes similar to 15 s, which is up to ...
Venkatraman, Vishwesh +5 more
core +1 more source
Indonesian Journal of Computational Biology (IJCB), 2023 Molecular docking interpretation is one of the crucial part before determining the result. Docking is commonly used to study the biomolecular interaction, usually for protein-ligand interaction, and to study about the molecular mechanism.
Umi Baroroh, S.Si., M.Biotek. +4 more
semanticscholar +1 more source
Some Chemical Properties and Biological Activity of an Endemic Plant Tripleurospermum callosum as a Case Study [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2022 T. callosum an endemic plant, used in this study, efficiently inhibited enzymes, with IC50 values of 28.87 mg/mL, 15.75 mg/mL, 36.47 mg/mL, and 60.0 mg/mL, for AChE, BChE, α-Gly, and GST respectively.
Abdulmelik Aras
doaj +1 more source
GNINA 1.0: molecular docking with deep learning
Journal of Cheminformatics, 2021 Molecular docking computationally predicts the conformation of a small molecule when binding to a receptor. Scoring functions are a vital piece of any molecular docking pipeline as they determine the fitness of sampled poses.
Andrew T. McNutt +7 more
semanticscholar +1 more source
Inorganics, 2021 The main goal of this work was to report the synthesis, characterization, and cytotoxicity study of a novel copper(II)-sunitinib complex, CuSun. It has been synthesized and characterized in solid state and in solution by different methods (such as DFT ...
Facundo Tarasi +8 more
doaj +1 more source
Structural Analysis and Mutational Assessment of the Photosystem II Chlorophyll-Binding Protein (CP47) in the Cyanobacterium Synechocystis sp. PCC 6803: Modeling and Simulation Study [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2023 CP47 is one of the essential components of photosystem II (PSII) in green plants, green algae, and cyanobacteria; which is involved in the light reactions of photosynthesis.
Mehr Ali Mahmood Janlou +3 more
doaj +1 more source