Cosolvent MD

Viva Biotech AIDD/CADD platform has provided the pocket prediction toolkit for a quick view of possible small molecule binding pockets on a static protein conformation. Here, the dynamics and flexibility of protein are considered for finding the cryptic binding pockets by cosolvent MD simulations, which mixes the related high-concentration small probes into the water solvent. User can also upload their own probes, our program will automatically parameterize the user-defined probe for the simulations and analyze the results.