𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Free-energy analysis of lysozyme–triNAG binding modes with all-atom molecular dynamics simulation combined with the solution theory in the energy representation

✍ Scribed by Takemura, Kazuhiro; Burri, Raghunadha Reddy; Ishikawa, Takeshi; Ishikura, Takakazu; Sakuraba, Shun; Matubayasi, Nobuyuki; Kuwata, Kazuo; Kitao, Akio

Book ID
120990436
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
540 KB
Volume
559
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A molecular analysis of the vibrational
A molecular analysis of the vibrational energy relaxation mechanism of the CN− ion in water based upon path integral influence functional theory combined with a dipole expansion of the solute–solvent interaction
✍ Yoshiyuki Okamoto; Taiji Mikami; Noriyuki Yoshii; Susumu Okazaki 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 660 KB

The molecular mechanism of vibrational energy relaxation of the CN -ion in water has been investigated using path integral influence functional theory combined with a dipole expansion of the solute-solvent interaction. First, in order to find out which solvent water molecules contribute most to the