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Molecular Informatics|August 23, 2016
Repositioning of Endonuclear Receptors Binders as Potential Antibacterial and Antifungal Agents. Eptyloxìm: A Potential and Novel Gyrase B and Cytochrome Cyp51 InhibitorAntonio Carrieri, Maria L'Abbate, Mariangela Di Chicco, et al.
Molecular Informatics|August 23, 2016
Docking Studies and Molecular Dynamic Simulations Reveal Different Features of IDO1 StructureFrancesco Antonio Greco, Answald Bournique, Alice Coletti, et al.
Molecular Informatics|July 8, 2017
The Cytochrome P450 3A4 has three Major Conformations: New Clues to Drug Recognition by this Promiscuous EnzymeLydia Benkaidali, François André, Gautier Moroy, et al.
Molecular Informatics|July 20, 2018
PV Analyzer: A Decision Support System for Photovoltaic Solar Cells LibrariesOmer Kaspi, Abraham Yosipof, Hanoch Senderowitz
Molecular Informatics|July 10, 2018
High-throughput Docking and Molecular Dynamics Simulations towards the Identification of Novel Peptidomimetic Inhibitors against CDC7Farahnaz Rezaei Makhouri, Jahan B Ghasemi
Molecular Informatics|July 29, 2020
A Computational Approach to Identify Potential Novel Inhibitors against the Coronavirus SARS-CoV-2Verena Battisti, Oliver Wieder, Arthur Garon, et al.
Molecular Informatics|July 30, 2020
Drug-target-ADR Network and Possible Implications of Structural Variants in Adverse EventsBryan Dafniet, Natacha Cerisier, Karine Audouze, et al.
Molecular Informatics|May 24, 2023
Augmenting bioactivity by docking-generated multiple ligand poses to enhance machine learning and pharmacophore modelling: discovery of new TTK inhibitors as case studyAmenah M Al-Imam, Safa Daoud, Ma'mon M Hatmal, et al.
Molecular Informatics|May 16, 2023
The VEGA web service: multipurpose online tools for molecular modelling and docking analysesAlessandro Pedretti, Serena Vittorio, Emanuela Sabato, et al.
Molecular Informatics|May 16, 2023
Application of automated machine learning in the identification of multi-target-directed ligands blocking PDE4B, PDE8A, and TRPA1 with potential use in the treatment of asthma and COPDAlicja Gawalska, Natalia Czub, Michał Sapa, et al.
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