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Molecular interaction fields in drug discovery: recent advances and future perspectives

A. Artese, S. Cross, G. Costa, S. Distinto, L. Parrotta, S. Alcaro, F. Ortuso, и G. Cruciani. Wiley Interdisciplinary Reviews: Computational Molecular Science, 3 (6): 594--613 (2013)
DOI: 10.1002/wcms.1150

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Simona Zahradnicek

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Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening.P. Markt, C. McGoohan, B. Walker, J. Kirchmair, C. Feldmann, G. Martino, G. Spitzer, S. Distinto, D. Schuster, G. Wolber и 2 other автор(ы). Journal of Chemical Information and Modeling, 48 (8): 1693-1705 (2008)How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information.J. Kirchmair, S. Distinto, P. Markt, D. Schuster, G. Spitzer, K. Liedl, и G. Wolber. Journal of Chemical Information and Modeling, 49 (3): 678-692 (2009)Molecular interaction fields in drug discovery: recent advances and future perspectivesA. Artese, S. Cross, G. Costa, S. Distinto, L. Parrotta, S. Alcaro, F. Ortuso, и G. Cruciani. Wiley Interdisciplinary Reviews: Computational Molecular Science, 3 (6): 594--613 (2013)Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection - What can we learn from earlier mistakes?J. Kirchmair, P. Markt, S. Distinto, G. Wolber, и T. Langer. J. Comput. Aided Mol. Des., 22 (3-4): 213-228 (2008)Critical Comparison of Virtual Screening Methods against the MUV Data Set.P. Tiikkainen, P. Markt, G. Wolber, J. Kirchmair, S. Distinto, A. Poso, и O. Kallioniemi. Journal of Chemical Information and Modeling, 49 (10): 2168-2178 (2009)GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods.S. Cross, F. Ortuso, M. Baroni, G. Costa, S. Distinto, F. Moraca, S. Alcaro, и G. Cruciani. J. Chem. Inf. Model., 52 (10): 2599-2608 (2012)

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