Design of stapled DNA-minor-groove-binding molecules with a mutable atom simulated annealing method
Inclusion of conserved buried water molecules in the model structure of rat submaxillary kallikrein
Comparison of protein surfaces using a genetic algorithm
The discovery of indicator variables for QSAR using inductive logic programming
Molecular modeling of the intestinal bile acid carrier
Comparative receptor mapping of serotoninergic 5-HT3 and 5-HT4 binding sites*
Alignment of flexible molecules at their receptor site using 3D descriptors and Hi-PCA