87 citations · 715 across the 29 of their papers we have counts for
29 papers
Generalization of the Elastic Network model for the study of large conformational changes in biomolecules
A. B. Poma, M. S. Li, P. E. Theodorakis
The elastic network (EN) is a prime model that describes the long-time dynamics of biomolecules. However, the use of harmonic potentials renders this model insufficient for studyin…
A structure-based model fails to probe the mechanical unfolding pathways of the titin I27 domain
Maksim Kouza, Chin-Kun Hu, Mai Suan Li +1
We discuss the use of a structure based C-Go model and Langevin dynamics to study in detail the mechanical properties and unfolding pathway of the titin I27 domain. We show that…
Periodic force induced stabilization or destabilization of the denatured state of a protein
Pulak Kumar Ghosh, Mai Suan Li, Bidhan Chandra Bag
We have studied the effects of an external sinusoidal force in protein folding kinetics. The externally applied force field acts on the each amino acid residues of polypeptide chai…
Factors governing fibrillogenesis of polypeptide chains
Mai Suan Li, Nguyen Truong Co, Govardhan Reddy +3
Using lattice models we explore the factors that determine the tendencies of polypeptide chains to aggregate by exhaustively sampling the sequence and conformational space. The mor…
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…
New method for deciphering free energy landscape of three-state proteins
Mai Suan Li, A. M. Gabovich, A. I. Voitenko
We have developed a new simulation method to estimate the distance between the native state and the first transition state, and the distance between the intermediate state and the…