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...
Aarti Garg, Rupinder Tewari, Gajendra P. S. Raghav...
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...
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 ...
Lin Li, Dachuan Guo, Yangyu Huang, Shiyong Liu, Yi...
Background: Modelling proteins with multiple domains is one of the central challenges in Structural Biology. Although homology modelling has successfully been applied for predicti...
Tammy M. K. Cheng, Tom L. Blundell, Juan Fern&aacu...
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...