✦ LIBER ✦

Protein/Ligand Binding Free Energies Calculated with Quantum Mechanics/Molecular Mechanics

✍ Scribed by Gräter, Frauke; Schwarzl, Sonja M.; Dejaegere, Annick; Fischer, Stefan; Smith, Jeremy C.

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Molecular mechanics methods for predicti

✍ Huang, Niu; Kalyanaraman, Chakrapani; Bernacki, Katarzyna; Jacobson, Matthew P. 📂 Article 📅 2006 🏛 Royal Society of Chemistry 🌐 English ⚖ 1008 KB

An efficient method for the calculation

✍ Woods, Christopher J.; Manby, Frederick R.; Mulholland, Adrian J. 📂 Article 📅 2008 🏛 American Institute of Physics 🌐 English ⚖ 765 KB

Variational calculation of quantum mecha

✍ Nakano, Hiroshi; Yamamoto, Takeshi 📂 Article 📅 2012 🏛 American Institute of Physics 🌐 English ⚖ 887 KB

Free Energies of Binding from Large-Scal

✍ Fox, Stephen J.; Pittock, Chris; Tautermann, Christofer S.; Fox, Thomas; Christ, 📂 Article 📅 2013 🏛 American Chemical Society 🌐 English ⚖ 1014 KB

Free Energies of Chemical Reactions in S

✍ Hu, Hao; Yang, Weitao 📂 Article 📅 2008 🏛 Annual Reviews 🌐 English ⚖ 442 KB

Quantum mechanics/molecular mechanics du

✍ Polyak, Iakov; Benighaus, Tobias; Boulanger, Eliot; Thiel, Walter 📂 Article 📅 2013 🏛 American Institute of Physics 🌐 English ⚖ 872 KB