Molecular Modeling of Complex Biological Systems

Complex biological systems participate in processes which span a variety of length and time scales. These systems are being investigated by a spectrum of computational techniques ranging from vanilla molecular dynamics to multi-scale coarse graining and bridging between relevant scales. In this poster, I will discuss some recent computatational methodologies used to study long time scale phenomena and their applications to problems like protein folding, aggregation, allosteric transitions in proteins, amyloid fibril formation etc. More details can be found on my website: http://www.stanford.edu/~shukla