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Mostrati risultati da 1 a 7 di 7
Hydrogen Bonding Interactions of Covalently-Bonded Fluorine Atoms: From Crystallographic Data to a New Angular Function in the GRID Force Field
2004 Carosati, Emanuele; Sciabola, Simone; Cruciani, Gabriele
Recent improvement in the GRID Force Field. 1. The docking Procedure GLUE
2006 Sciabola, Simone; Baroni, Massimo; Carosati, Emanuele; Cruciani, Gabriele
Recent improvement in the GRID Force Field. 2. A new Angular Function Derived from Crystallographic Data for describing Hydrogen Bonding Interactions of Covalenty-Bonded Fluorine Atoms
2006 Carosati, Emanuele; Sciabola, Simone; Cruciani, Gabriele
Use of a Combined GLUE/ALMOND Approach in QSAR-Studies on (aryl) Bridged 2-Aminobenzonitriles Inhibiting HIV-1 Reverse Transcriptase
2006 Sciabola, Simone; Carosati, Emanuele; Baroni, Massimo; R., Vianello; R., Mannhold; Cruciani, Gabriele
A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands and Proteins (FLAP): Theory and Application
2007 Baroni, Massimo; Cruciani, Gabriele; Sciabola, Simone; Perruccio, F.; Mason, J.
High-throughput virtual screening of proteins using GRID molecular interaction fields
2010 Sciabola, Simone; Stanton, R. V.; Mills, J. E.; Flocco, M. M.; Baroni, Massimo; Cruciani, Gabriele; Perruccio, F; Mason, J. S.
Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow
2019 Sciabola, Simone; Benedetti, Paolo; D'Arrigo, Giulia; Torella, Rubben; Baroni, Massimo; Cruciani, Gabriele; Spyrakis, Francesca
Mostrati risultati da 1 a 7 di 7
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