✦ LIBER ✦

Assessment of Nonpolar Terms in Implicit Solvent Models to Estimate Small Molecule Hydration Free Energies

✍ Scribed by Brieg, Martin; Setzler, Julia; Wenzel, Wolfgang

Book ID: 121990064
Publisher: Biophysical Society
Year: 2014
Tongue: English
Weight: 38 KB
Volume: 106
Category: Article
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2013.11.2297

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Surveying implicit solvent models for es

Surveying implicit solvent models for estimating small molecule absolute hydration free energies

✍ Jennifer L. Knight; Charles L. Brooks III 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 530 KB

## Abstract Implicit solvent models are powerful tools in accounting for the aqueous environment at a fraction of the computational expense of explicit solvent representations. Here, we compare the ability of common implicit solvent models (TC, OBC, OBC2, GBMV, GBMV2, GBSW, GBSW/MS, GBSW/MS2 and FA

Comparison of Charge Models for Fixed-Ch

Comparison of Charge Models for Fixed-Charge Force Fields: Small-Molecule Hydration Free Energies in Explicit Solvent

✍ Mobley, David L.; Dumont, Élise; Chodera, John D.; Dill, Ken A. 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 394 KB

Comparison of Charge Models for Fixed-Ch

Comparison of Charge Models for Fixed-Charge Force Fields: Small Molecule Hydration Free Energies in Explicit Solvent

✍ Mobley, David L.; Dumont, Élise; Chodera, John D.; Dill, Ken A. 📂 Article 📅 2011 🏛 American Chemical Society 🌐 English ⚖ 837 KB