Andrea Zaliani

19 papers Journal 19
YearRankTypeTitle / Venue / Authors
2025 J jnl
From library to landscape: integrative annotation workflows for compound libraries in drug repurposing.
Database J. Biol. Databases Curation
Jeanette Reinshagen, Brinton Seashore-Ludlow, Yojana Gadiya, Anna-Lena Gustavsson, ZiaurRehman Tanoli, Tero Aittokallio, Johanna Huchting, Annika Jenmalm-Jensen, Philip Gribbon, Andrea Zaliani, Flavio Ballante
2025 J jnl
KGG: a fully automated workflow for creating disease-specific knowledge graphs.
Bioinform.
Reagon Karki, Yojana Gadiya, Andrea Zaliani, Bishab Pokharel, Negin Sadat Babaiha, Marek Ostaszewski, Martin Hofmann-Apitius, Philip Gribbon
2025 J jnl
Predicting Antimicrobial Class Specificity of Small Molecules Using Machine Learning.
J. Chem. Inf. Model.
Yojana Gadiya, Olga Genilloud, Ursula Bilitewski, Mark Brönstrup, Leonie von Berlin, Marie Attwood, Philip Gribbon, Andrea Zaliani
2024 J jnl
Curating, Collecting, and Cataloguing Global COVID-19 Datasets for the Aim of Predicting Personalized Risk.
Data
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
2024 J jnl
Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease.
J. Chem. Inf. Model.
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
2023 J jnl
PEMT: a patent enrichment tool for drug discovery.
Bioinform.
Yojana Gadiya, Andrea Zaliani, Philip Gribbon, Martin Hofmann-Apitius
2022 J jnl
A hybrid approach unveils drug repurposing candidates targeting an Alzheimer pathophysiology mechanism.
Patterns
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
2022 J jnl
Minimal information for chemosensitivity assays (MICHA): a next-generation pipeline to enable the FAIRification of drug screening experiments.
Briefings Bioinform.
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
2022 J jnl
SASC: A simple approach to synthetic cohorts for generating longitudinal observational patient cohorts from COVID-19 clinical data.
Patterns
Takoua Khorchani, Yojana Gadiya, Gesa Witt, Delia Lanzillotta, Carsten Claussen, Andrea Zaliani
2010 J jnl
Maximum-score diversity selection for early drug discovery.
J. Cheminformatics
Thorsten Meinl, Claude Ostermann, Olaf Nimz, Andrea Zaliani, Michael R. Berthold
2009 J jnl
Second-generation de novo design: a view from a medicinal chemist perspective.
J. Comput. Aided Mol. Des.
Andrea Zaliani, Krisztina Boda, Thomas Seidel, Achim Herwig, Christof H. Schwab, Johann Gasteiger, Holger Claussen, Christian Lemmen, Jörg Degen, Juri Pärn, Matthias Rarey
2008 J jnl
FTree query construction for virtual screening: a statistical analysis.
J. Comput. Aided Mol. Des.
Christof Gerlach, Howard Broughton, Andrea Zaliani
2006 J jnl
A Knowledge-Based Weighting Approach to Ligand-Based Virtual Screening.
J. Chem. Inf. Model.
Nikolaus Stiefl, Andrea Zaliani
2006 J jnl
ErG: 2D Pharmacophore Descriptions for Scaffold Hopping.
J. Chem. Inf. Model.
Nikolaus Stiefl, Ian A. Watson, Knut Baumann, Andrea Zaliani
2004 J jnl
Identifying the binding mode of a molecular scaffold.
J. Comput. Aided Mol. Des.
Doron Chema, Doron Eren, Avner Yayon, Amiram Goldblum, Andrea Zaliani
2000 J jnl
Global 3D-QSAR methods: MS-WHIM and autocorrelation.
J. Comput. Aided Mol. Des.
Emanuela Gancia, Gianpaolo Bravi, Paolo Mascagni, Andrea Zaliani
1999 J jnl
MS-WHIM Scores for Amino Acids: A New 3D-Description for Peptide QSAR and QSPR Studies.
J. Chem. Inf. Comput. Sci.
Andrea Zaliani, Emanuela Gancia
1997 J jnl
MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroids.
J. Comput. Aided Mol. Des.
Gianpaolo Bravi, Emanuela Gancia, Paolo Mascagni, Monica Pegna, Roberto Todeschini, Andrea Zaliani
1997 J jnl
SONHICA (Simple optimized non-HIerarchical Cluster Analysis): A new tool for analysis of molecular conformations.
J. Comput. Chem.
Gianpaolo Bravi, Emanuela Gancia, Andrea Zaliani, Monica Pegna