✦ LIBER ✦

Coarse-Grained Peptide Modeling Using a Systematic Multiscale Approach

✍ Scribed by Zhou, Jian; Thorpe, Ian F.; Izvekov, Sergey; Voth, Gregory A.

Book ID: 119920719
Publisher: Biophysical Society
Year: 2007
Tongue: English
Weight: 835 KB
Volume: 92
Category: Article
ISSN: 0006-3495
DOI: 10.1529/biophysj.106.094425

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The multiscale coarse-graining method. I

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

✍ Noid, W. G.; Chu, Jhih-Wei; Ayton, Gary S.; Krishna, Vinod; Izvekov, Sergei; Vot 📂 Article 📅 2008 🏛 American Institute of Physics 🌐 English ⚖ 391 KB

Multiscale simulation of small peptides:

Multiscale simulation of small peptides: Consistent conformational sampling in atomistic and coarse-grained models

✍ Olga Bezkorovaynaya; Alexander Lukyanov; Kurt Kremer; Christine Peter 📂 Article 📅 2012 🏛 John Wiley and Sons 🌐 English ⚖ 451 KB

## Abstract A bottom–up coarse‐graining procedure for peptides in aqueous solution is presented, where the interactions in the coarse‐grained (CG) model are determined such that the CG peptide samples conformations according to a high‐resolution (atomistic) model. It is shown that important aspects

A pH-dependent coarse-grained model for

A pH-dependent coarse-grained model for peptides

✍ Enciso, Marta; Schütte, Christof; Delle Site, Luigi 📂 Article 📅 2013 🏛 Royal Society of Chemistry 🌐 English ⚖ 785 KB

Identification of amyloidogenic peptide

Identification of amyloidogenic peptide sequences using a coarse-grained physicochemical model

✍ Oliver J. Clarke; Martin J. Parker 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 605 KB

## Abstract Cross‐β amyloid is implicated in over 20 human diseases. Experiments suggest that specific sequence elements within amyloidogenic proteins play a major role in seeding amyloid formation. Identifying these seeding sequences is important for rationalizing the molecular mechanisms of amylo

Model Reduction and Coarse-Graining Appr

Model Reduction and Coarse-Graining Approaches for Multiscale Phenomena || Dynamics of the Plasma Sheath

✍ Gorban, Alexander N.; Kevrekidis, Ioannis G.; Theodoropoulos, Constantinos; Kaza 📂 Article 📅 2006 🏛 Springer Berlin Heidelberg ⚖ 241 KB

A systematic procedure to build a relaxe

A systematic procedure to build a relaxed dense-phase atomistic representation of a complex amorphous polymer using a coarse-grained modeling approach

✍ Xianfeng Li; Robert A. Latour 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 948 KB

A systematic procedure has been developed to construct a relaxed dense-phase atomistic structure of a complex amorphous polymer. The numerical procedure consists of (1) coarse graining the atomistic model of the polymer into a mesoscopic model based on an iterative algorithm for potential inversion