Latest Publications

All Publications

2023 December 1

Structural basis of a redox-dependent conformational switch that regulates the stress kinase p38α

2023 August 6

Efficient and accurate sequence generation with small-scale protein language models

2023 June 12

Characterization of p38α autophosphorylation inhibitors that target the non-canonical activation pathway

2023 May 8

Selective inhibitors of the PSEN1-gamma-secretase complex

2023 April 26

Controlled sulfur-based engineering confers mouldability to phosphorothioate antisense oligonucleotides

2023 March 27

Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures

2023 March 17

Preclinical evaluation of a COVID-19 vaccine candidate based on a recombinant RBD fusion heterodimer of SARS-CoV-2

2023 March 6

Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures

2023 January 23

Enzymatic C4-Epimerization of UDP-Glucuronic Acid: Precisely Steered Rotation of a Transient 4-Keto Intermediate for an Inverted Reaction without Decarboxylation

2023 January 18

Brave new surfactant world revisited by thermoalkalophilic lipases: computational insights into the role of SDS as a substrate analog

Filter all publications by keyword
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