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Fabrizio Giordanetto
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Journal Articles
- 2023
- [j8]Jack B. Greisman
, Lindsay Willmore, Christine Y. Yeh
, Fabrizio Giordanetto
, Sahar Shahamadtar, Hunter M. Nisonoff, Paul Maragakis, David E. Shaw
:
Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J. Chem. Inf. Model. 63(9): 2644-2650 (2023) - 2012
- [j7]Christian Tyrchan
, Jonas Boström
, Fabrizio Giordanetto, Jon Winter, Sorel Muresan:
Exploiting Structural Information in Patent Specifications for Key Compound Prediction. J. Chem. Inf. Model. 52(6): 1480-1489 (2012) - 2008
- [j6]Timothy Lovell, Hongming Chen, Paul D. Lyne, Fabrizio Giordanetto, Jin Li:
On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors. [J. Chem. Inf. Model. 46, 401-415 (2006)]. J. Chem. Inf. Model. 48(1): 246 (2008) - 2006
- [j5]Hongming Chen, Paul D. Lyne, Fabrizio Giordanetto, Timothy Lovell, Jin Li:
On Evaluating Molecular-Docking Methods for Pose Prediction and Enrichment Factors. J. Chem. Inf. Model. 46(1): 401-415 (2006) - 2004
- [j4]Romano T. Kroemer, Anna Vulpetti
, Joseph J. McDonald, Douglas C. Rohrer, Jean-Yves Trosset, Fabrizio Giordanetto, Simona Cotesta, Colin McMartin, Mats Kihlén, Pieter F. W. Stouten
:
Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations. J. Chem. Inf. Model. 44(3): 871-881 (2004) - [j3]Fabrizio Giordanetto, Simona Cotesta, Cornel Catana, Jean-Yves Trosset, Anna Vulpetti
, Pieter F. W. Stouten
, Romano T. Kroemer:
Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms. J. Chem. Inf. Model. 44(3): 882-893 (2004) - 2003
- [j2]Fabrizio Giordanetto, Paola Fossa
, Giulia Menozzi, Silvia Schenone, Francesco Bondavalli, Angelo Ranise, Luisa Mosti:
Exploring the molecular basis of selectivity in A1 adenosine receptors agonists: a case study. J. Comput. Aided Mol. Des. 17(1): 39-51 (2003) - [j1]Fabrizio Giordanetto, Paola Fossa
, Giulia Menozzi, Luisa Mosti:
In silico rationalization of the structural and physicochemical requirements for photobiological activity in angelicine derivatives and their heteroanalogues. J. Comput. Aided Mol. Des. 17(1): 53-64 (2003)
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