Mario Lobell
Bayer (Germany)(DE)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Analytical Chemistry and Chromatography, Biochemical Acid Research Studies, Protein Structure and Dynamics, Enzyme Catalysis and Immobilization
Most-Cited Works
- → Antibiotic Activity and Characterization of BB-3497, a Novel Peptide Deformylase Inhibitor(2001)233 cited
- → Bayer’s in silico ADMET platform: a journey of machine learning over the past two decades(2020)208 cited
- → Molecular Characterization of the Principal Substrate Binding Site of the Ubiquitous Folding Catalyst Protein Disulfide Isomerase(2004)161 cited
- → Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hits(2006)151 cited
- → A Conserved Arginine Plays a Role in the Catalytic Cycle of the Protein Disulphide Isomerases(2003)125 cited
- → In Silico ADMET Traffic Lights as a Tool for the Prioritization of HTS Hits(2006)113 cited
- → Recent Advances in the Prediction of Blood–Brain Partitioning from Molecular Structure(2003)108 cited
- → In silico prediction of aqueous solubility, human plasma protein binding and volume of distribution of compounds from calculated pKa and AlogP98 values(2003)106 cited
- → Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction(2014)105 cited
- → CypScore: Quantitative Prediction of Reactivity toward Cytochromes P450 Based on Semiempirical Molecular Orbital Theory(2009)91 cited