167 citations · 436 across the 13 of their papers we have counts for
4 papers · 1 filter
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…
Combining Coarse-Grained Protein Models with Replica-Exchange All-Atom Molecular Dynamics
Jacek Wabik, Sebastian Kmiecik, Dominik Gront +2
We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has b…
Numerical Simulation of Folding and Unfolding of Proteins
Maksim Kouza
The thesis examines in detail the folding and unfolding processes of a number of proteins including hbSBD, DDLNF4, single and multi Ubiquitin. Using simplified coarse-grained off-l…
Universal geometrical factor of protein conformations as a consequence of energy minimization
Ming-Chya Wu, Mai Suan Li, Wen-Jong Ma +2
The biological activity and functional specificity of proteins depend on their native three-dimensional structures determined by inter- and intra-molecular interactions. In this pa…