Sciweavers

ICCSA
2004
Springer
14 years 5 months ago
High Throughput in-silico Screening against Flexible Protein Receptors
We report results for the in-silico screening of a database of 10000 flexible compounds against various crystal structures of the thymidine kinase receptor complexed with 10 know...
Holger Merlitz, Wolfgang Wenzel
GECCO
2004
Springer
115views Optimization» more  GECCO 2004»
14 years 5 months ago
An Evolutionary Approach with Pharmacophore-Based Scoring Functions for Virtual Database Screening
We have developed a new tool for virtual database screening. This tool, referred to as the Generic Evolutionary Method for molecular DOCKing (GEMDOCK), combines an evolutionary app...
Jinn-Moon Yang, Tsai-Wei Shen, Yen-Fu Chen, Yi-Yua...
DAGM
2004
Springer
14 years 5 months ago
Predictive Discretization During Model Selection
We present an approach to discretizing multivariate continuous data while learning the structure of a graphical model. We derive the joint scoring function from the principle of p...
Harald Steck, Tommi Jaakkola
RECOMB
2008
Springer
15 years 23 days ago
Automatic Parameter Learning for Multiple Network Alignment
We developed Gr?mlin 2.0, a new multiple network aligner with (1) a novel scoring function that can use arbitrary features of a multiple network alignment, such as protein deletion...
Jason Flannick, Antal F. Novak, Chuong B. Do, Bala...