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OpenEye Scientific Software Inc molecular docking fred program
Molecular Docking Fred Program, supplied by OpenEye Scientific Software Inc, 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/fred+docking+program/molecular+docking+package+fred/pmc07236274-98-24-29
Average 90 stars, based on 1 article reviews
molecular docking fred program - by Bioz Stars, 2026-10
90/100 stars

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Article Title: ent -Beyerane Diterpenes as a Key Platform for the Development of ArnT-Mediated Colistin Resistance Inhibitors
Article Snippet: The molecular docking simulations of all designed derivatives of compound 1 were carried out with FRED (OpenEye scientific software) using the crystallographic structure of bacterial ArnT in complex with undecaprenyl phosphate as the rigid receptor ( Figure S14 ).

Article Title: Accelerating the Screening of Small Peptide Ligands by Combining Peptide-Protein Docking and Machine Learning.
Article Snippet: Gaussian distribution of the docking scores obtained by molecular docking all tetrapeptide library to the four envelope protein targets using Openeye software (a), or AutoDockFR soft- ware (b).

Article Title: Accelerating the Screening of Small Peptide Ligands by Combining Peptide-Protein Docking and Machine Learning.
Article Snippet: Gaussian distribution of the docking scores obtained by molecular docking all tetrapeptide library to the four envelope protein targets using Openeye software (a), or AutoDockFR software (b).

Article Title: Arylidenes of Quinolin-2-one scaffold as Erlotinib analogues with activities against leukemia through inhibition of EGFR TK/ STAT-3 pathways.
Article Snippet: This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record.. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article.. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.

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Article Title: Indoles and 1-(3-(benzyloxy)benzyl)piperazines: Reversible and selective monoamine oxidase B inhibitors identified by screening an in-house compound library.
Article Snippet: The therapeutic indications for monoamine oxidases A and B (MAO-A and MAO-B) inhibitors that have emerged from biological studies on animal and cellular models of neurological and oncological diseases have focused drug discovery projects upon identifying reversible MAO inhibitors.. Screening of our in-house academic compound library identified two hit compounds that inhibit MAO-B with IC50 values in micromolar range.. Two series of indole (23 analogues) and 3-(benzyloxy)benzyl)piperazine (16 analogues) MAO-B inhibitors were derived from hits, and screened for their structure-activity relationships.



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