374 citations · 498 across the 9 of their papers we have counts for
9 papers
Folding of Protein L with implications for collapse in the denatured state ensemble
Hiranmay Maity, Govardhan Reddy
A fundamental question in protein folding is whether the coil to globule collapse transition occurs during the initial stages of folding (burst-phase) or simultaneously with the pr…
Folding PDZ2 domain using the Molecular Transfer Model
Zhenxing Liu, Govardhan Reddy, D. Thirumalai
A major challenge in molecular simulations is to describe denaturant-dependent folding of proteins order to make direct comparisons with {\it in vitro} experiments. We use the mole…
Dissecting Ubiquitin Folding Using the Self-Organized Polymer Model
Govardhan Reddy, D. Thirumalai
Folding of Ubiquitin (Ub) is investigated at low and neutral pH at different temperatures using simulations of the coarse-grained Self-Organized-Polymer model with side chains. The…
Propensity to form amyloid fibrils is encoded as excitations in the free energy landscape of monomeric proteins
Pavel I. Zhuravlev, Govardhan Reddy, John E. Straub +1
Protein aggregation, linked to many of diseases, is initiated when monomers access rogue conformations that are poised to form amyloid fibrils. We show, using simulations of src SH…
Entropic Stabilization of Proteins by TMAO
Samuel S. Cho, Govardhan Reddy, John E. Straub +1
To understand the mechanism of trimethylamine N-oxide (TMAO) induced stabilization of folded protein states, we systematically investigated the action of TMAO on several model dipe…
Role of water in Protein Aggregation and Amyloid Polymorphism
D. Thirumalai, Govardhan Reddy, John E. Straub
A variety of neurodegenerative diseases are associated with the formation of amyloid plaques. Our incomplete understanding of this process underscores the need to decipher the prin…