✦ LIBER ✦

Binary Phases of Aliphatic N -Oxides and Water: Force Field Development and Molecular Dynamics Simulation

✍ Scribed by Kast, Kristine M.; Brickmann, Jürgen; Kast, Stefan M.; Berry, R. Stephen

Book ID: 127363188
Publisher: American Chemical Society
Year: 2003
Tongue: English
Weight: 170 KB
Volume: 107
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp027336a

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Water activity coefficients in aqueous a

Water activity coefficients in aqueous amino acid solutions by molecular dynamics simulation: 1. Force field development

✍ Hempel, Sascha; Sadowski, Gabriele 📂 Article 📅 2012 🏛 Taylor and Francis Group 🌐 English ⚖ 206 KB

An Effective Force Field for Molecular D

An Effective Force Field for Molecular Dynamics Simulations of Dimethyl Sulfoxide and Dimethyl Sulfoxide−Water Mixtures

✍ Geerke, Daan P.; Oostenbrink, Chris; van der Vegt, Nico F. A.; van Gunsteren, Wi 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 151 KB

Recent applications and developments of

Recent applications and developments of charge equilibration force fields for modeling dynamical charges in classical molecular dynamics simulations

✍ Brad A. Bauer; Sandeep Patel 📂 Article 📅 2012 🏛 Springer 🌐 English ⚖ 666 KB

A molecular dynamics study of liquid ali

A molecular dynamics study of liquid aliphatic alcohols: simulation of density and self-diffusion coefficient using a modified OPLS force field

✍ Kulschewski, Tobias; Pleiss, Jürgen 📂 Article 📅 2013 🏛 Taylor and Francis Group 🌐 English ⚖ 254 KB

United atom force field for phospholipid

United atom force field for phospholipid membranes: Constant pressure molecular dynamics simulation of dipalmitoylphosphatidicholine/water system

✍ Smondyrev, Alexander M.; Berkowitz, Max L. 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 316 KB 👁 1 views

We refined the united atom field for the simulations of phospholipid membranes. To validate this potential we performed 1000-ps Ž . constant pressure simulation of a dipalmitoylphosphatidicholine DPPC bilayer ˚2 Ž . at T s 50Њ C. The average area per head group 61.6 " 0.6 A obtained in our ˚2 Ž . si

Structural and Dynamic Properties of the

Structural and Dynamic Properties of the CAGQW Peptide in Water: A Molecular Dynamics Simulation Study Using Different Force Fields

✍ Roccatano, D.; Nau, W. M.; Zacharias, M. 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 204 KB