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AUTODOCK GmbH docking solutions
Docking Solutions, 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/docking+solutions/docking+solutions/pmc11677788-93-3-7
Average 90 stars, based on 1 article reviews
docking solutions - by Bioz Stars, 2026-10
90/100 stars

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Article Title: Tetrapyrrole binding affinity of the murine and human p22HBP heme-binding proteins.
Article Snippet: We present the first systematic molecular modeling study of the binding properties of murine (mHBP) and human (hHBP) p22HBP protein (heme-binding protein) with four tetrapyrrole ring systems belonging to the heme biosynthetic pathway: iron protoporphyrin IX (HEMIN), protoporphyrin IX (PPIX), coproporphyrin III (CPIII), coproporphyrin I (CPI).. The relative binding affinities predicted by our computational study were found to be similar to those observed experimentally, providing a first rational structural analysis of the molecular recognition mechanism, by p22HBP, toward a number of different tetrapyrrole

Article Title: New cyclic RGD peptides: synthesis, characterization, and theoretical activity towards αvβ3 integrin
Article Snippet: Two new cyclic RGD peptides were prepared using a click chemistry approach.. The linear RGDfV peptide was synthesized by solid-phase peptide synthesis using a 9-fluorenylmetoxicarbonyl (Fmoc) strategy and a 2-chlorotrityl chloride resin.. After coupling 5-hexynoic acid the peptide was cleaved from the resin and linked to propargylamine.

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Article Title: Structure-based design of small bicyclic peptide inhibitors of Cripto-1 activity
Article Snippet: .. For each ligand/receptor couple, 800 docking solutions were obtained, which were different in terms of poses (i.e. the ALK4 region where the peptide docks), were differently ranked on the basis of their binding affinity as calculated by Autodock Vina [18]. ..

Article Title: Functional Roles of the Charged Residues of the C- and M-Gates in the Yeast Mitochondrial NAD + Transporter Ndt1p
Article Snippet: Since the docking solutions of Ndt1p with AlphaFold 3 were all in the C-state (described in two sections previously), we used AutoDock Vina v1.2.x [ ] for the docking of NAD + and other substrates into the substrate translocation cavity of the homology model of Ndt1p in the M-state to evaluate potential substrate interactions with the C- and M-gate residues. .. All the nine docking solutions resulting from AutoDock Vina exhibited very similar NAD + binding energies of between −10.7 to −10.1 kcal/mol, on which a ranking is based. ..

Generated:

Article Title: EIF4A3 targeted therapeutic intervention in glioblastoma multiforme using phytochemicals from Indian medicinal plants - an integration of phytotherapy into precision onco-medicine.
Article Snippet: Glioblastoma Multiforme (GBM), an aggressive brain tumor (grade-IV astrocytoma), poses treatment challenges.. Poor prognosis results from the rapid growth, highlighting the role of EIF4A3 in regulating non-coding RNAs.. EIF4A3 promotes the expression of several non-coding RNAs, viz, Circ matrix metallopeptidase 9 (MMP9), a prominent oncogene, by interacting with the upstream region of the circMMP9 mRNA transcript and acts on cell proliferation, migration, and invasion of GBM.



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