IN SILICO BIOLOGICAL APPLICATIONS

SIMULATIONS & MOLECULAR DYNAMICS

Our team which is well versed in understanding the nuances of MD algorithms, applies simulation and dynamics to issues like allosteric regulation, docking & structure refinement which not only helps in understanding macromolecular structure to function relationships, but also aids the researcher to move from the analysis of single structure – to the analysis of conformational ensembles. Such Conformational Ensembles simulated by us are much better representatives of real macromolecules, as they account for flexibility and dynamic properties (including all thermodynamic information) and ease the match with experimental results.

.