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AUTODOCK GmbH computer-aided docking simulation
Computer Aided Docking Simulation, 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/computer-aided+docking+simulation/computer+simulation+docking+results/pm39922350-178-12-17
Average 90 stars, based on 1 article reviews
computer-aided docking simulation - by Bioz Stars, 2026-09
90/100 stars

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Article Title: Halogenated β,γ-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase β: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues
Article Snippet: The obtention of diastereomeric mixtures owing to the generation of a new chiral center when X * Y in such analogues and the resulting potential for a stereospecific interaction with the enzyme active site were not addressed in these studies.10,11,13 We have presented X-ray crystallographic evidence that a ,γ-fluoromethylene-dGTPprimer-DNA ternary complex with pol uniquely contained the (R)-CHF diastereomer (3), although the complex was obtained by exposing crystals of primer-DNA to a ∼1:1 mixture (as confirmed by 19F NMR at high pH) of the R/S diastereomers (3, 4).15 A computer-based docking simulation using Autodock 3 was consistent with the experimental result, indicating the existence of a polar bonding interaction (3.1 Å) between one guanidininium nitrogen of Arg183 in the enzyme active site and the bound (R)-CHF fluorine atom.

Article Title: Screening of deoxyribonuclease I inhibitors from autodisplayed Fv-antibody library.
Article Snippet: Deoxyribonuclease (DNase) I inhibitors have been developed based on proteins, nucleotides and synthetic compounds.. In this work, amino acid sequences with the activity of DNase I inhibitor were screened from an Fvantibody library expressed on the outer membrane of Escherichia coli.. The Fv-antibody indicated the heavy chain variable region (VH) of immunoglobulin G (IgG) and the Fv-antibody library was generated with a randomized complementarity-determining region 3 (CDR3).

Article Title: Costunolide ameliorates rotenone-induced Parkinson's disease in rat model via activation of SIRT-1/p-AMPK cascade and suppression of IL-6/STAT3 axis
Article Snippet: Molecular docking Computer-guided docking experiments were conducted using AutoDock Vina.



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AUTODOCK GmbH computer-aided docking simulation
Computer Aided Docking Simulation, 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/computer-aided+docking+simulation/computer+simulation+docking+results/pm39922350-178-12-17
Average 90 stars, based on 1 article reviews
computer-aided docking simulation - by Bioz Stars, 2026-09
90/100 stars
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