Free Energies of Binding from Large-Scale First-Principles Quantum Mechanical Calculations: Application to Ligand Hydration Energies

✍ Scribed by Fox, Stephen J.; Pittock, Chris; Tautermann, Christofer S.; Fox, Thomas; Christ, Clara; Malcolm, N. O. J.; Essex, Jonathan W.; Skylaris, Chris-Kriton

• Book ID: 120836785
• Publisher: American Chemical Society
• Year: 2013
• Tongue: English
• Weight: 1014 KB
• Volume: 117
• Category: Article
• ISSN: 0022-3654
• DOI: 10.1021/jp404518r