✦ LIBER ✦

Identifying Receptor−Ligand Interactions through an ab Initio Approach

✍ Scribed by Salazar, Pablo F.; Seminario, Jorge M.

Book ID: 125844392
Publisher: American Chemical Society
Year: 2008
Tongue: English
Weight: 185 KB
Volume: 112
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp0768569

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An imaging-based approach to identify li

An imaging-based approach to identify ligands for olfactory receptors

✍ Adi Mizrahi; Hiroaki Matsunami; Lawrence C. Katz 📂 Article 📅 2004 🏛 Elsevier Science 🌐 English ⚖ 347 KB

Molecular Interactions between Estrogen

Molecular Interactions between Estrogen Receptor and Its Ligand Studied by the ab Initio Fragment Molecular Orbital Method

✍ Fukuzawa, Kaori; Mochizuki, Yuji; Tanaka, Shigenori; Kitaura, Kazuo; Nakano, Tat 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 613 KB

Molecular Interactions between Estrogen

Molecular Interactions between Estrogen Receptor and Its Ligand Studied by the ab Initio Fragment Molecular Orbital Method

✍ Fukuzawa, Kaori; Mochizuki, Yuji; Tanaka, Shigenori; Kitaura, Kazuo; Nakano, Tat 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 62 KB

Control of substituent ligand over curre

Control of substituent ligand over current through molecular devices: An ab initio molecular orbital theory

✍ Chen, H.; Lu, J. Q.; Wu, J.; Note, R.; Mizuseki, H.; Kawazoe, Y. 📂 Article 📅 2003 🏛 The American Physical Society 🌐 English ⚖ 475 KB

An approach to analysis of radiolabeled

An approach to analysis of radiolabeled ligand interactions with specific receptors

✍ Boris N Manukhin; Larisa A Nesterova; Elena A Smurova; Tasegul P Kichikulova 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 263 KB

Ab initio models for receptor-ligand int

Ab initio models for receptor-ligand interactions in proteins. 4. Model assembly study of the catalytic mechanism of triosephosphate isomerase

✍ Mikael Peräkylä; Tapani A. Pakkanen 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 989 KB

The catalytic mechanism of triosephosphate isomerase (TIM) was investigated with ab initio quantum mechanical calculations. Electrostatic interactions between the quantum mechanical active site and the protein and solvent environment were modeled using the finite difference Poission-Boltzman method.