Disordered peptide chains in an α-C-based coarse-grained model
نویسندگان
چکیده
منابع مشابه
Discretizing elastic chains for coarse-grained polymer models
Studying the statistical and dynamic behavior of semiflexible polymers under complex conditions generally requires discretizing the polymer into a sequence of beads for purposes of simulation. We present a novel approach for generating coarse-grained, discretized polymer models designed to reproduce the polymer statistics at intermediate to long lengths. Our versatile model allows for an arbitr...
متن کاملAn exactly solvable coarse-grained model for species diversity
We present novel analytical results about ecosystem species diversity that stem from a proposed coarse grained neutral model based on birth-death processes. The relevance of the problem lies in the urgency for understanding and synthesizing both theoretical results of ecological neutral theory and empirical evidence on species diversity preservation. Neutral model of biodiversity deals with eco...
متن کاملTesting the transferability of a coarse-grained model to intrinsically disordered proteins.
The intermediate-resolution coarse-grained protein model PLUM [T. Bereau and M. Deserno, J. Chem. Phys., 2009, 130, 235106] is used to simulate small systems of intrinsically disordered proteins involved in biomineralisation. With minor adjustments to reduce bias toward stable secondary structure, the model generates conformational ensembles conforming to structural predictions from atomistic s...
متن کاملAn experimental study on hydraulic behavior of free-surface radial flow in coarse-grained porous media
The equations of fluids in porous media are very useful in designing the rockfill and diversion dams, gabions, breakwaters and ground water reserves. Researches have been showed that the Forchheimer equation is not sufficient for the analysis of hydraulic behavior of free-surface radial flows; because, in these flows, in addition to the hydraulic gradient and velocity, the variable of radius is...
متن کاملC3: an architecture-independent model for coarse-grained parallel machines
We propose an architecture-independent parallel model, the C 3-model. The C 3-model evaluates, for a given parallel algorithm and target architecture, the complexity of computation, the pattern of communication , and the potential congestion arising in communication operations. A metric for estimating the eeect of link and processor congestion on the performance of an arbitrary communication op...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2018
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c8cp03309a