Antoine Daina

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Publication record
37 papers · 13,562 citations · H-index 23

PAPERS

Rethinking Molecular Beauty in the Deep Learning Era
20251 citationsauthor #1
Knowledge-guided machine-learning and reverse screening combined method to predict cancer cell line responses to cytotoxic molecules
20250 citationsauthor #3
Testing the predictive power of reverse screening to infer drug targets, with the help of machine learning
202461 citationsauthor #1
SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina
2024326 citationsauthor #5
SwissParam 2023: A Modern Web-Based Tool for Efficient Small Molecule Parametrization
2023194 citationsauthor #5
Secondary IDH1 resistance mutations and oncogenic IDH2 mutations cause acquired resistance to ivosidenib in cholangiocarcinoma
202260 citationsauthor #3
The SwissSimilarity 2021 Web Tool: Novel Chemical Libraries and Additional Methods for an Enhanced Ligand-Based Virtual Screening Experience
2022110 citationsauthor #2
FGFR2 Extracellular Domain In-Frame Deletions are Therapeutically Targetable Genomic Alterations that Function as Oncogenic Drivers in Cholangiocarcinoma.
202159 citationsauthor #37
Computer-Aided Drug Design for Cancer Therapy
20214 citationsauthor #1
SwissBioisostere 2021: updated structural, bioactivity and physicochemical data delivered by a reshaped web interface
202118 citationsauthor #2
The impact of structural bioinformatics tools and resources on SARS-CoV-2 research and therapeutic strategies
202030 citationsauthor #4
Application of the SwissDrugDesign Online Resources in Virtual Screening
201987 citationsauthor #1
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules
20193,361 citationsauthor #1
Educational Tools to Introduce Computer-Aided Drug Design to Students and to the Public at Large.
20184 citationsauthor #1
Rational Design, Synthesis, and Pharmacological Characterization of Novel Ghrelin Receptor Inverse Agonists as Potential Treatment against Obesity-Related Metabolic Diseases.
201814 citationsauthor #1
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
20174,142 citationsauthor #1
Drug Design Workshop: A Web-Based Educational Tool To Introduce Computer-Aided Drug Design to the General Public
201763 citationsauthor #1
A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules
20161,968 citationsauthor #1
SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening
2016314 citationsauthor #2
Cover Picture: A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules (ChemMedChem 11/2016)
20163 citationsauthor #1
Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape
201556 citationsauthor #5
The SIB Swiss Institute of Bioinformatics’ resources: focus on curated databases
201558 citationsauthor #96
Drug design for high school students, high school teachers and the public at large
20150 citationsauthor #2
Modeling the Met Form of Human Tyrosinase: A Refined and Hydrated Pocket for Antagonist Design
201422 citationsauthor #2
iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach
2014806 citationsauthor #1
SwissTargetPrediction: a web server for target prediction of bioactive small molecules
20141,495 citationsauthor #4
Mutagenesis and Functional Studies with Succinate Dehydrogenase Inhibitors in the Wheat Pathogen Mycosphaerella graminicola
2012165 citationsauthor #10
Glycosaminoglycans Are Interactants of Langerin: Comparison with gp120 Highlights an Unexpected Calcium-Independent Binding Mode
201243 citationsauthor #3
Molecular Docking Using the Molecular Lipophilicity Potential as Hydrophobic Descriptor: Impact on GOLD Docking Performance
201249 citationsauthor #4
A practical introduction to molecular dynamics simulations: applications to homology modeling.
201229 citationsauthor #2
Block of the hERG channel by bupivacaine: Electrophysiological and modeling insights towards stereochemical optimization.
201112 citationsauthor #4
Molecular electrocatalysis for oxygen reduction by cobalt porphyrins adsorbed at liquid/liquid interfaces.
2010136 citationsauthor #8
Stereoselective block of hERG channel by bupivacaine scrutinized at molecular level.
20102 citationsauthor #3
Impact of species-dependent differences on screening, design, and development of MAO B inhibitors.
200678 citationsauthor #2
Identification of novel multifunctional compounds for the treatment of some aging related neurodegenerative diseases
200511 citationsauthor #2
The medicinal chemist's dream: Faster design of better and safer drug candidates
20053 citationsauthor #3
Open Access Databases and Datasets for Computer-Aided Drug Design. A Short List Used in the Molecular Modelling Group of the SIB
year unknown1 citationsauthor #1

TIMELINE

2005 14 citations

2006 78 citations

2010 138 citations

2011 12 citations

2012 286 citations

2014 2,323 citations

2015 114 citations

2016 2,285 citations

2017 4,205 citations

2018 18 citations

2019 3,448 citations

2020 30 citations

2021 81 citations

2022 170 citations

2023 194 citations

2024 387 citations

2025 1 citations

Unknown 1 citations

Antoine Daina

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