Theoretical Seminars and Journal Club
Schedule
date | main presenter | topic
Suggested Topics
name of topic | suggestion by
1. Soft Core non-bonded interactions - Alpesh
2. Structural Determination - Mitchell
The paper pool
Author | Title | Topic area | DOI URL |
1. BEUTLER TC, MARK AE, VANSCHAIK RC, et al. AVOIDING SINGULARITIES AND NUMERICAL INSTABILITIES IN FREE-ENERGY CALCULATIONS BASED ON MOLECULAR SIMULATIONS. CHEMICAL PHYSICS LETTERS, 1994, 222 (6) : 529-539. http://dx.doi.org/10.1016/0009-2614(94)00397-1
2. Frank Alber, Friedrich Förster, Dmitry Korkin, Maya Topf and Andrej Sali Integrating Diverse Data for Structure Determination of Macromolecular Assemblies Annual Review of Biochemistry http://dx.doi.org/10.1146/annurev.biochem.77.060407.135530
3. Tropp J. (1980) Dipolar relaxation and nuclear Overhauser effects in nonrigid molecules: The effect of fluctuating internuclear distances. J. Chem. Phys. 72, 6035 http://link.aip.org/link/?JCPSA6/72/6035/1
4. Daura X, Antes I, van Gunsteren WF, Thiel W, Mark AE. (1999) The effect of motional averaging on the calculation of NMR-derived structural properties. Proteins 36(4), 542-55 http://dx.doi.org/10.1002/(SICI)1097-0134(19990901)36:4<542::AID-PROT17>3.0.CO;2-M
