✦ LIBER ✦

A morphometric approach for the accurate solvation thermodynamics of proteins and ligands

✍ Scribed by Harano, Yuichi; Roth, Roland; Chiba, Shuntaro

Book ID: 120568081
Publisher: John Wiley and Sons
Year: 2013
Tongue: English
Weight: 427 KB
Volume: 34
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.23348

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The Thermodynamics of Protein–Ligand Int

The Thermodynamics of Protein–Ligand Interaction and Solvation: Insights for Ligand Design

✍ Tjelvar S.G. Olsson; Mark A. Williams; William R. Pitt; John E. Ladbury 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 935 KB

A scalable and accurate method for class

A scalable and accurate method for classifying protein–ligand binding geometries using a MapReduce approach

✍ T. Estrada; B. Zhang; P. Cicotti; R.S. Armen; M. Taufer 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 996 KB

Solvation thermodynamics of biopolymers.

Solvation thermodynamics of biopolymers. I. Separation of the volume and surface interactions with estimates for proteins

✍ A. Ben-Naim; K.-L. Ting; R. L. Jernigan 📂 Article 📅 1989 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 829 KB

The present paper is a systematic first approach to the problem of solvation thermodynamics of biomolecules. Most previous approaches have been only crude estimates of solvent contributions, and have simply assessed solvation free energy as proportional to surface areas. Here we estimate the vario

FAMBE-pH: A Fast and Accurate Method to

FAMBE-pH: A Fast and Accurate Method to Compute the Total Solvation Free Energies of Proteins

✍ Vorobjev, Yury N.; Vila, Jorge A.; Scheraga, Harold A. 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 665 KB

A Polarizable Force Field and Continuum

A Polarizable Force Field and Continuum Solvation Methodology for Modeling of Protein−Ligand Interactions

✍ Maple, Jon R.; Cao, Yixiang; Damm, Wolfgang; Halgren, Thomas A.; Kaminski, Georg 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 122 KB

A Chemical Library Approach to Organic-M

A Chemical Library Approach to Organic-Modified Peptide Ligands for PDZ Domain Proteins: A Synthetic, Thermodynamic and Structural Investigation

✍ D. Gomika Udugamasooriya; Sudhir C. Sharma; Mark R. Spaller 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 444 KB

PDZ domains are members of the protein interaction domain family, [1] semi-autonomous modules embedded within larger signaling proteins that impart a degree of exclusivity to the binding properties of their hosts. As mediators of mammalian protein-protein interactions that number in the hundreds, PD