Publications

2019 July 3

Extensive Benchmark Of rDock As A Peptide-Protein Docking Tool

2019 May 21

Modulation of the helical properties of DNA: next-to-nearest neighbour effects and beyond

2019 April 22

A synthetic genetic polymer with an uncharged backbone chemistry based on alkyl phosphonate nucleic acids

2019 March 29

Structural and Computational Characterization of Disease-Related Mutations Involved in Protein-Protein Interfaces

2019 March 18

Predicting the Limit of Intramolecular Hydrogen Bonding with Classical Molecular Dynamics

2018 October 4

Automated Design of Efficient and Functionally Diverse Enzyme Repertoires

2018 August 27

Pushing The Limits Of Computational Structure-Based Drug Design With A Cryo-EM Structure: The Ca2+ Channel α2δ-1 Subunit As A Test Case

2018 May 25

Multiple implications of an active site phenylalanine in the catalysis of aryl-alcohol oxidase

2018 March 30

Rational Engineering Of Multiple Active Sites In An Ester Hydrolase

2018 January 29

Hot-spot analysis for drug discovery targeting protein-protein interactions

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Antibodies Antigens Docking Drug Repurposing Enzyme Directed Evolution Enzyme profiling Induced fit MD MM/QM Molecular Dynamics PELE PELE-DNA/RNA Peptides PPI RNA Software Development Target Profiling