Chemogenomics: Systematization of Drug Discovery. Edgar Jacoby. 15 April 2010. Knowledge-Based Virtual Screening: Application to the MDM4/p53 Protein–Protein Interaction. Edgar Jacoby, Andreas ...

Computational chemistry — in particular, virtual screening — can provide valuable contributions in hit and lead discovery. However, it seems that there are relatively few examples so far of ...

Traditional folk medicine practices in China, Hong Kong, Japan and Korea – all located in Northeast Asia – are comparable. Since different usage of a herbal medicine may reflect cultural or regional ...

Machine learning and constraint-based modeling software from the Chandrasekaran Lab - Systems Biology at University of Michigan ...

We present the development and application of a new machine-learning approach to exhaustively and reliably identify major histocompatibility complex class I (MHC-I) ligands among all 208 octapeptides ...

Of great interest in recent years has been computationally predicting the novel polypharmacology of drug molecules. Here, we applied an “induced-fit” protocol to improve the homology models of 5-HT2A ...

All sections; Anti-Cancer Drugs; Anti-Infective Agents; Anti-inflammatory and Immunomodulating Agents; Cardiovascular and Hematologic Drugs; In silico Methods and Artificial Intelligence for Drug ...

Effect of chitosan on mycelial growth was estimated by measuring the colony diameter of P. expansum on PDA supplemented with different chitosan concentrations. As shown in Figure 1B, the degree of ...