9 search results - page 1 / 2 » KiDoQ: using docking based energy scores to develop ligand b... |
BMCBI
2010
2010
KiDoQ: using docking based energy scores to develop ligand based model for predicting antibacterials
13 years 7 months ago
Background: Identification of novel drug targets and their inhibitors is a major challenge in the field of drug designing and development. Diaminopimelic acid (DAP) pathway is a u...
GECCO
2004
Springer
14 years 25 days ago
2004
Springer
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...
BMCBI
2011
13 years 2 months ago
2011
Background: Atomic Solvation Parameters (ASP) model has been proven to be a very successful method of calculating the binding free energy of protein complexes. This suggests that ...
BMCBI
2008
13 years 7 months ago
2008
Background: Modelling proteins with multiple domains is one of the central challenges in Structural Biology. Although homology modelling has successfully been applied for predicti...
BIOINFORMATICS
2007
13 years 7 months ago
2007
Motivation: Protein–protein complexes are known to play key roles in many cellular processes. However, they are often not accessible to experimental study because of their low s...