Andrea Zaliani

According to our database, Andrea Zaliani authored at least 16 papers between 1997 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.

Simone 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

J. Chem. Inf. Model., 2024

Curating, Collecting, and Cataloguing Global COVID-19 Datasets for the Aim of Predicting Personalized Risk.

Sepehr Golriz Khatami, Astghik Sargsyan, Maria Francesca Russo, Daniel Domingo-Fernández, Andrea Zaliani, Abish Kaladharan, Priya Sethumadhavan, Sarah Mubeen, Yojana Gadiya, Reagon Karki, Stephan Gebel, Ram Kumar Ruppa Surulinathan, Vanessa Lage-Rupprecht, Saulius Archipovas, Geltrude Mingrone, Marc Jacobs, Carsten Claussen, Martin Hofmann-Apitius, Alpha Tom Kodamullil

Data, 2024

2023

PEMT: a patent enrichment tool for drug discovery.

Yojana Gadiya, Andrea Zaliani, Philip Gribbon, Martin Hofmann-Apitius

Bioinform., January, 2023

2022

A hybrid approach unveils drug repurposing candidates targeting an Alzheimer pathophysiology mechanism.

Vanessa 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, Carsten Claussen, Martin Hofmann-Apitius

Patterns, 2022

SASC: A simple approach to synthetic cohorts for generating longitudinal observational patient cohorts from COVID-19 clinical data.

Takoua Khorchani, Yojana Gadiya, Gesa Witt, Delia Lanzillotta, Carsten Claussen, Andrea Zaliani

Patterns, 2022

Minimal information for chemosensitivity assays (MICHA): a next-generation pipeline to enable the FAIRification of drug screening experiments.

ZiaurRehman Tanoli, Jehad Aldahdooh, Farhan Alam, Yinyin Wang, Umair Seemab, Maddalena Fratelli, Petr Pavlis, Marián Hajdúch, Florence Bietrix, Philip Gribbon, Andrea Zaliani, Matthew D. Hall, Min Shen, Kyle R. Brimacombe, Evgeny Kulesskiy, Saarela Jani, Krister Wennerberg, Markus Vähä-Koskela, Jing Tang

Briefings Bioinform., 2022

2010

Maximum-score diversity selection for early drug discovery.

Thorsten Meinl, Claude Ostermann, Olaf Nimz, Andrea Zaliani, Michael R. Berthold

J. Cheminformatics, 2010

2009

Second-generation de novo design: a view from a medicinal chemist perspective.

Andrea Zaliani, Krisztina Boda, Thomas Seidel, Achim Herwig, Christof H. Schwab, Johann Gasteiger, Holger Claussen, Christian Lemmen, Jörg Degen, Juri Pärn, Matthias Rarey

J. Comput. Aided Mol. Des., 2009

2008

FTree query construction for virtual screening: a statistical analysis.

Christof Gerlach, Howard Broughton, Andrea Zaliani

J. Comput. Aided Mol. Des., 2008

2006

A Knowledge-Based Weighting Approach to Ligand-Based Virtual Screening.

Nikolaus Stiefl, Andrea Zaliani

J. Chem. Inf. Model., 2006

ErG: 2D Pharmacophore Descriptions for Scaffold Hopping.

Nikolaus Stiefl, Ian A. Watson, Knut Baumann, Andrea Zaliani

J. Chem. Inf. Model., 2006

2004

Identifying the binding mode of a molecular scaffold.

Doron Chema, Doron Eren, Avner Yayon, Amiram Goldblum, Andrea Zaliani

J. Comput. Aided Mol. Des., 2004

2000

Global 3D-QSAR methods: MS-WHIM and autocorrelation.

Emanuela Gancia, Gianpaolo Bravi, Paolo Mascagni, Andrea Zaliani

J. Comput. Aided Mol. Des., 2000

1999

MS-WHIM Scores for Amino Acids: A New 3D-Description for Peptide QSAR and QSPR Studies.

Andrea Zaliani, Emanuela Gancia

J. Chem. Inf. Comput. Sci., 1999

1997

SONHICA (Simple optimized non-HIerarchical Cluster Analysis): A new tool for analysis of molecular conformations.

Gianpaolo Bravi, Emanuela Gancia, Andrea Zaliani, Monica Pegna

J. Comput. Chem., 1997

MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroids.

Gianpaolo Bravi, Emanuela Gancia, Paolo Mascagni, Monica Pegna, Roberto Todeschini, Andrea Zaliani

J. Comput. Aided Mol. Des., 1997