automated molecular docking program (AUTODOCK GmbH)
90
Structured Review
AUTODOCK GmbH
automated molecular docking program
Automated Molecular Docking Program, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/molecular+docking+fred+program/automated+molecular+docking+program/pmc00525403-269-26-28
Average 90 stars, based on 1 article reviews
Automated Molecular Docking Program, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/molecular+docking+fred+program/automated+molecular+docking+program/pmc00525403-269-26-28
Average 90 stars, based on 1 article reviews
automated molecular docking program - by Bioz Stars,
2026-10
90/100 stars
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Produced:Article Title: Molecular modelling of human CYP2D6 and molecular docking of a series of ajmalicine- and quinidine-like inhibitors. Article Snippet: 3D-models were created and refined for CYP2D6 and for its complexes with ajmalicine and quinidine.. The influence of the conformation of he enzyme active site on its interaction with ligands was evaluated by performing three series of molecular docking on selected ajmalicineand uinidine-like inhibitors.. The results suggested that the experimental binding values of ajmalicineand quinidine-like inhibitors better fit with the nergetic terms derived from their interaction with structures of CYP2D6 obtained by, respectively, optimizing the ajmalicine/CYP2D6 and the uinidine/CYP2D6 complexes, rather than exploiting the 3D-strucure of the enzyme not subjected to a ligand-induced conformational change. Binding Assay:Article Title: Molecular modelling of human CYP2D6 and molecular docking of a series of ajmalicine- and quinidine-like inhibitors. Article Snippet: 3D-models were created and refined for CYP2D6 and for its complexes with ajmalicine and quinidine.. The influence of the conformation of he enzyme active site on its interaction with ligands was evaluated by performing three series of molecular docking on selected ajmalicineand uinidine-like inhibitors.. The results suggested that the experimental binding values of ajmalicineand quinidine-like inhibitors better fit with the nergetic terms derived from their interaction with structures of CYP2D6 obtained by, respectively, optimizing the ajmalicine/CYP2D6 and the uinidine/CYP2D6 complexes, rather than exploiting the 3D-strucure of the enzyme not subjected to a ligand-induced conformational change. other:Article Title: Analysis of Mupirocin Resistance and Fitness in Staphylococcus aureus by Molecular Genetic and Structural Modeling Techniques Article Snippet: The models of this reactive complex were constructed first by docking a Article Title: Machine learning approaches to optimize small-molecule inhibitors for RNA targeting Article Snippet: Of relevance to this study, binding values were obtained [ ] by virtual screening using the automated molecular |