87 citations · 715 across the 29 of their papers we have counts for
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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…
Folding in lattice models with side chains
Mai Suan Li, D. K. Klimov, D. Thirumalai
The folding kinetics of three-dimensional lattice Go models with side chains is studied using two different Monte Carlo move sets. A flexible move set based on single, double and t…
Dependence of folding rates on protein length
Mai Suan Li, D. K. Klimov, D. Thirumalai
Using three-dimensional Go lattice models with side chains for proteins, we investigate the dependence of folding times on protein length. In agreement with previous theoretical pr…
Delineation of the Native Basin in Continuum Models of Proteins
Mai Suan Li, Marek Cieplak
We propose two approaches for determining the native basins in off-lattice models of proteins. The first of them is based on exploring the saddle points on selected trajectories em…
Folding in two-dimenensional off-lattice models of proteins
Mai Suan Li, Marek Cieplak
Model off-lattice sequences in two dimensions are constructed so that their native states are close to an on-lattice target. The Hamiltonian involves the Lennard-Jones and harmonic…
Simple models of proteins with repulsive non-native contacts
Mai Suan Li, Marek Cieplak
The Go model is extended to the case when the non-native contact energies may be either attractive or repulsive. The folding temperature is found to increase with the energy of non…