374 citations · 736 across the 16 of their papers we have counts for
10 papers · 1 filter
Conformational Fluctuations and Phases in Fused in Sarcoma (FUS) Low-Complexity Domain
D. Thirumalai, Abhinaw Kumar, Debayan Chakraborty +2
The well known phenomenon of phase separation in synthetic polymers and proteins has become a major topic in biophysics because it has been invoked as a mechanism of compartment fo…
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…
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…
Vibrational energy relaxation (VER) of isotopically labeled amide I modes in cytochrome c: Theoretical investigation of VER rates and pathways
Hiroshi Fujisaki, John E. Straub
Using a time-dependent perturbation theory, vibrational energy relaxation (VER) of isotopically labeled amide I modes in cytochrome c solvated with water is investigated. Contribut…
Quantum dynamics of N-methylacetamide studied by the vibrational configuration interaction method
Hiroshi Fujisaki, Kiyoshi Yagi, Kimihiko Hirao +1
Vibrational energy transfer of the amide I mode of N-methylacetamide (NMA) is studied theoretically using the vibrational configuration interaction method. A quartic force field of…
Scenarios for protein aggregation: Molecular Dynamics simulations and Bioinformatic Analysis
Ruxandra I. Dima, Bogdan Tarus, John E. Straub +1
The need to understand the assembly kinetics of fibril formation has become urgent because of the realization that soluble oligomers of amyloidogenic peptides may be even more neur…