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Toward a generalized computational workflow for exploiting transient pockets as new targets for small molecule stabilizers: Application to the homogentisate 1, 2-dioxygenase mutants at the base of rare disease Alkaptonuria.

, , , , , , and . Comput. Biol. Chem., (2017)

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Research on anti-HIV-1 agents. Investigation on the CD4-Suradista binding mode through docking experiments., , , , and . J. Comput. Aided Mol. Des., 14 (4): 355-368 (2000)Targets Looking for Drugs: A Multistep Computational Protocol for the Development of Structure-Based Pharmacophores and Their Applications for Hit Discovery., , , , and . Journal of Chemical Information and Modeling, 48 (11): 2166-2179 (2008)Construction and Validation of a RET TK Catalytic Domain by Homology Modeling., , , , and . Journal of Chemical Information and Modeling, 47 (2): 644-655 (2007)Novel Virtual Screening Protocol Based on the Combined Use of Molecular Modeling and Electron-Ion Interaction Potential Techniques To Design HIV-1 Integrase Inhibitors., , , , , , , , , and 1 other author(s). J. Chem. Inf. Model., 47 (4): 1536-1544 (2007)Molecular Dynamics and DFT Study on HIV-1 Nucleocapsid Protein-7 in Complex with Viral Genome., , , and . J. Chem. Inf. Model., 50 (4): 638-650 (2010)Predicting the Binding Mode of Known NCp7 Inhibitors To Facilitate the Design of Novel Modulators., , and . J. Chem. Inf. Model., 51 (2): 446-454 (2011)In Memory of Maurizio Botta: His Contribution to the Development of Computer-Aided Drug Design., , , and . J. Chem. Inf. Model., 59 (12): 4961-4967 (2019)Toward a generalized computational workflow for exploiting transient pockets as new targets for small molecule stabilizers: Application to the homogentisate 1, 2-dioxygenase mutants at the base of rare disease Alkaptonuria., , , , , , and . Comput. Biol. Chem., (2017)A Combination of Molecular Dynamics and Docking Calculations to Explore the Binding Mode of ADS-J1, a Polyanionic Compound Endowed with Anti-HIV-1 Activity., , , , , , , and . Journal of Chemical Information and Modeling, 46 (3): 1344-1351 (2006)Pharmacophore Assessment Through 3-D QSAR: Evaluation of the Predictive Ability on New Derivatives by the Application on a Series of Antitubercular Agents., , , , , , , , , and 2 other author(s). J. Chem. Inf. Model., 53 (6): 1463-1474 (2013)