Contribution of 2D and 3D structural features of drug molecules in the prediction of Drug Profile Matching

enthalten in: Journal of chemical information and modeling | 2012

von Peragovics, A. | Simon, Z. | Brandhuber, I. | +5

Drug effect prediction by polypharmacology-based interaction profiling

enthalten in: Journal of chemical information and modeling | 2012

von Simon, Z. | Peragovics, A. | Vigh-Smeller, M. | +11

Relating the shape of protein binding sites to binding affinity profiles : is there an association?

enthalten in: BMC structural biology | 2010

von Simon, Z. | Vigh-Smeller, M. | Peragovics, A. | +8