Background: Leishmaniasis is a virulent parasitic infection that causes a worldwide disease burden. Most treatments have toxic side-effects and efficacy has decreased due to the e...
The Covariance-Matrix-Adaptation Evolution-Strategy (CMA-ES) is a robust stochastic search algorithm for optimizing functions defined on a continuous search space RD . Recently, ...
Background: Current scoring functions are not very successful in protein-ligand binding affinity prediction albeit their popularity in structure-based drug designs. Here, we propo...
Driven by new regulations and animal welfare, the need to develop in silico models has increased recently as alternative approaches to safety assessment of chemicals without animal...
Background: In the area of protein structure prediction, recently a lot of effort has gone into the development of Model Quality Assessment Programs (MQAPs). MQAPs distinguish hig...
Ingolf Sommer, Stefano Toppo, Oliver Sander, Thoma...