264 citations · 2.7k across the 64 of their papers we have counts for
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Probing the Mechanisms of Fibril Formation Using Lattice Models
Mai Suan Li, D. K. Klimov, J. E. Straub +1
Using exhaustive Monte Carlo simulations we study the kinetics and mechanism of fibril formation using lattice models as a function of temperature and the number of chains. While t…
Crowding effects on the mechanical stability and unfolding pathways of Ubiquitin
David L. Pincus, D. Thirumalai
The interior of cells is crowded thus making it important to assess the effects of macromolecules on the folding of proteins. Using the Self-Organized Polymer (SOP) model, which is…
Compression and stretching of a self-avoiding chain in cylindrical nanopores
Suckjoon Jun, D. Thirumalai, Bae-Yeun Ha
Force-induced deformations of a self-avoiding chain confined inside a cylindrical cavity, with diameter , are probed using molecular dynamics simulations, scaling analysis, and…
Minimal models for proteins and RNA: From folding to function
D. L. Pincus, S. S. Cho, C. Hyeon +1
We present a panoramic view of the utility of coarse-grained (CG) models to study folding and functions of proteins and RNA. Drawing largely on the methods developed in our group o…
Force Dependent Hopping Rates of RNA Hairpins can be Estimated from Accurate Measurement of the Folding Landscapes
Changbong Hyeon, Greg Morrison, D. Thirumalai
The sequence-dependent folding landscapes of nucleic acid hairpins reflect much of the complexity of biomolecular folding. Folding trajectories, generated using single molecule for…