✦ LIBER ✦

Simulation of short-chain polymer collapse with an explicit solvent

✍ Scribed by Polson, James M.; Zuckermann, Martin J.

Book ID: 121784291
Publisher: American Institute of Physics
Year: 2002
Tongue: English
Weight: 303 KB
Volume: 116
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1464819

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Implicit and explicit solvent models for

Implicit and explicit solvent models for the simulation of a single polymer chain in solution: Lattice Boltzmann versus Brownian dynamics

✍ Pham, Tri T.; Schiller, Ulf D.; Prakash, J. Ravi; Dünweg, Burkhard 📂 Article 📅 2009 🏛 American Institute of Physics 🌐 English ⚖ 938 KB

Monte carlo model of polymer chain attac

Monte carlo model of polymer chain attached to an interface in poor solvent conditions: collapse to dense globular state

✍ Mariusz Milik; Andrzej Orszagh 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 617 KB

Adsorption and Dynamics of a Single Poly

Adsorption and Dynamics of a Single Polyelectrolyte Chain near a Planar Charged Surface: Molecular Dynamics Simulations with Explicit Solvent

✍ Reddy, Govardhan; Chang, Rakwoo; Yethiraj, Arun 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 103 KB

Brownian dynamics simulations of single

Brownian dynamics simulations of single polymer chains with and without self-entanglements in theta and good solvents under imposed flow fields

✍ Hoda, Nazish; Larson, Ronald G. 📂 Article 📅 2010 🏛 American Institute of Physics 🌐 English ⚖ 393 KB

Discrimination between native and intent

Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model

✍ Yury N. Vorobjev; Juan Carlos Almagro; Jan Hermans 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 179 KB 👁 3 views

A new method for calculating the total conformational free energy of proteins in water solvent is presented. The method consists of a relatively brief simulation by molecular dynamics with explicit solvent (ES) molecules to produce a set of microstates of the macroscopic conformation. Conformational