Simona Distinto

发表

The discovery of new G-quadruplex binders through astructure-based virtual screening approach

Federica Moraca, Stefano Alcaro, Anna Artese, 2012 .

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?

Simona Distinto, Thierry Langer, Gerhard Wolber, 2008, J. Comput. Aided Mol. Des..

Identification of new G-quadruplex binders by a combined shape- and 2D-fingerprint based virtual screening approach

Federica Moraca, Anna Artese, Simona Distinto, 2011 .

Critical Comparison of Virtual Screening Methods against the MUV Data Set

Pekka Tiikkainen, Simona Distinto, Antti Poso, 2009, J. Chem. Inf. Model..

COMP389-Successful application of a combined 3D pharmacophore, 3D shape, and electrostatic similarity virtual screening workflow to discover novel PPAR agonists

Simona Distinto, Daniela Schuster, Gerhard Wolber, 2008 .

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

Simona Distinto, Klaus R. Liedl, Daniela Schuster, 2009, J. Chem. Inf. Model..

COMP 266-The performance of 3-D shape-based virtual screening is not necessarily related to the quality of the query conformation

Simona Distinto, Klaus R. Liedl, Daniela Schuster, 2008 .

Towards Accelerated Anti-Cancer Drug Discovery: Integration of Chemoinformatics, Cell-Based Screening and Grid Computing

Jordi Mestres, Simona Distinto, József Kovács, 2010 .

Optimized shape-focused virtual screening for enhanced enrichment rates

Simona Distinto, Klaus R. Liedl, Daniela Schuster, 2009 .

GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods

Stefano Alcaro, Federica Moraca, Simona Distinto, 2012, J. Chem. Inf. Model..

Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening

Simona Distinto, Thierry Langer, Daniela Schuster, 2008, J. Chem. Inf. Model..

Diversity Oriented Virtual Compound Selection Strategy for High Throughput Cell-Based Screening of Potential Anticancer Agents

Ismael Zamora, Jordi Mestres, Simona Distinto, 2008 .

Grid aided computer system for accelerated anti-cancer drug design: cancergrid

Jordi Mestres, Simona Distinto, Johannes Kirchmair, 2009 .

Diversity Oriented Virtual Compound Selection Strategy for High Throughput Screening of Potential Anticancer Agents

Ismael Zamora, Jordi Mestres, Simona Distinto, 2008 .