Opening book details…
About this book
Methodological and Force Field Effects in the Molecular Dynamics-based Prediction of Binding Free Energies of Host–guest Systems by Zhaoxi Sun & Piero Procacci is a book available to read on EtoBox.
- Author
- Zhaoxi Sun & Piero Procacci
- Publisher
- Royal Society of Chemistry
- Language
- EN
More by Zhaoxi Sun & Piero Procacci
Browse all works by Zhaoxi Sun & Piero Procacci
Similar books
- Expanded Ensemble Predictions of Absolute Binding Free Energies in the SAMPL9 Host–guest Challenge — Matthew F. D. Hurley & Robert M. Raddi & Jason G. Pattis & Vincent A. Voelz
- Taming multiple binding poses in alchemical binding free energy prediction: the β-cyclodextrin host–guest SAMPL9 blinded challenge — Sheenam Khuttan & Solmaz Azimi & Joe Z. Wu & Sebastian Dick & Chuanjie Wu & Huafeng Xu & Emilio Gallicchio
- The SAMPL9 Host–guest Blind Challenge: an Overview of Binding Free Energy Predictive Accuracy — Martin Amezcua & Jeffry Setiadi & David L. Mobley
- Unexpectedly Strong Xe Binding by Host–guest Interaction — Junjian Miao & Zhenhai Xiong & Yi Gao
- Exploring the Stability of Inhibitor Binding to SIK2 Using Molecular Dynamics Simulation and Binding Free Energy Calculation — Mingsong Shi & Min Zhao & Lun Wang & Kongjun Liu & Penghui Li & Jiang Liu & Xiaoying Cai & Lijuan Chen & Dingguo Xu
- On the Prediction of Core Level Binding Energies in Molecules, Surfaces and Solids — Francesc Vi & #xf1; es & Carmen Sousa & Francesc Illas