Andrea Zaliani - researchr alias

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Viewing Publication 1 - 16 from 16

2024

Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main ProteaseSimone Albani, Elisa Costanzi, Gia Linh Hoang, Maria Kuzikov, Marcus Frings, Narjes Ansari, Nicola Demitri, Toan T. Nguyen, Valerio Rizzi, Jörg B. Schulz, Carsten Bolm, Andrea Zaliani, Paolo Carloni, Paola Storici, Giulia Rossetti. jcisd, 64(3):892-904, 2024. [doi]

2023

PEMT: a patent enrichment tool for drug discoveryYojana Gadiya, Andrea Zaliani, Philip Gribbon, Martin Hofmann-Apitius. bioinformatics, 39(1), January 2023. [doi]

2022

SASC: A simple approach to synthetic cohorts for generating longitudinal observational patient cohorts from COVID-19 clinical dataTakoua Khorchani, Yojana Gadiya, Gesa Witt, Delia Lanzillotta, Carsten Claussen, Andrea Zaliani. patterns, 3(4):100453, 2022. [doi]

A hybrid approach unveils drug repurposing candidates targeting an Alzheimer pathophysiology mechanismVanessa Lage-Rupprecht, Bruce Schultz, Justus Dick, Marcin Namysl, Andrea Zaliani, Stephan Gebel, Ole Pless, Jeanette Reinshagen, Bernhard Ellinger, Christian Ebeling, Alexander M. Esser, Marc Jacobs 0001, Carsten Claussen, Martin Hofmann-Apitius. patterns, 3(3):100433, 2022. [doi]

2010

Maximum-score diversity selection for early drug discoveryThorsten Meinl, Claude Ostermann, Olaf Nimz, Andrea Zaliani, Michael R. Berthold. jcheminf, 2(S-1):33, 2010. [doi]

2009

Second-generation de novo design: a view from a medicinal chemist perspectiveAndrea Zaliani, Krisztina Boda, Thomas Seidel, Achim Herwig, Christof H. Schwab, Johann Gasteiger, Holger Claussen, Christian Lemmen, JÃ¶rg Degen, Juri PÃ¤rn, Matthias Rarey. jcamd, 23(8):593-602, 2009. [doi]

2008

FTree query construction for virtual screening: a statistical analysisChristof Gerlach, Howard Broughton, Andrea Zaliani. jcamd, 22(2):111-118, 2008. [doi]

2006

ErG: 2D Pharmacophore Descriptions for Scaffold HoppingNikolaus Stiefl, Ian A. Watson, Knut Baumann, Andrea Zaliani. jcisd, 46(1):208-220, 2006. [doi]

A Knowledge-Based Weighting Approach to Ligand-Based Virtual ScreeningNikolaus Stiefl, Andrea Zaliani. jcisd, 46(2):587-596, 2006. [doi]

2004

Identifying the binding mode of a molecular scaffoldDoron Chema, Doron Eren, Avner Yayon, Amiram Goldblum, Andrea Zaliani. jcamd, 18(1):23-40, 2004.

2000

Global 3D-QSAR methods: MS-WHIM and autocorrelationEmanuela Gancia, Gianpaolo Bravi, Paolo Mascagni, Andrea Zaliani. jcamd, 14(3):293-306, 2000. [doi]

1999

MS-WHIM Scores for Amino Acids: A New 3D-Description for Peptide QSAR and QSPR StudiesAndrea Zaliani, Emanuela Gancia. jcisd, 39(3):525-533, 1999. [doi]

1997

SONHICA (Simple optimized non-HIerarchical Cluster Analysis): A new tool for analysis of molecular conformationsGianpaolo Bravi, Emanuela Gancia, Andrea Zaliani, Monica Pegna. jcc, 18(10):1295-1311, 1997. [doi]

MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroidsGianpaolo Bravi, Emanuela Gancia, Paolo Mascagni, Monica Pegna, Roberto Todeschini, Andrea Zaliani. jcamd, 11(1):79-92, 1997. [doi]

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