23 citations · 23 across the 2 of their papers we have counts for
6 papers
Virtual reality based approach to protein heavy-atom structure reconstruction
Xubiao Peng, Alireza Chenani, Shuangwei Hu +2
A commonly recurring problem in structural protein studies, is the determination of all heavy atom positions from the knowledge of the central alpha-carbon coordinates. We employ a…
On Energy Functions for String-Like Continuous Curves, Discrete Chains, and Space-Filling One Dimensional Structures
Shuangwei Hu, Ying Jiang, Antti J. Niemi
The theory of string-like continuous curves and discrete chains have numerous important physical applications. Here we develop a general geometrical approach, to systematically der…
The Discrete Frenet Frame, Inflection Point Solitons And Curve Visualization with Applications to Folded Proteins
Shuangwei Hu, Martin Lundgren, Antti J. Niemi
We develop a transfer matrix formalism to visualize the framing of discrete piecewise linear curves in three dimensional space. Our approach is based on the concept of an intrinsic…
Towards Quantitative Classification of Folded Proteins in Terms of Elementary Functions
Shuangwei Hu, Andrei Krokhotin, Antti J. Niemi +1
A comparative classification scheme provides a good basis for several approaches to understand proteins, including prediction of relations between their structure and biological fu…
Discrete Nonlinear Schrodinger Equation, Solitons and Organizing Principles for Protein Folding
Nora Molkenthin, Shuangwei Hu, Antti J. Niemi
We introduce a novel generalization of the discrete nonlinear Schrödinger equation. It supports solitons that describe how proteins fold. As an example we scrutinize the villin hea…
Topological Solitons and Folded Proteins
M. N. Chernodub, Shuangwei Hu, Antti J. Niemi
We propose that protein loops can be interpreted as topological domain-wall solitons. They interpolate between ground states that are the secondary structures like alpha-helices an…