Showing results (31-40 of 364) with videos related to
Sort By:
Pageof 37
Journal of Biomolecular Structure & Dynamics|August 1, 1988
On the occurrence of three-center hydrogen bonds in cyclodextrins in crystalline form and in aqueous solution: comparison of neutron diffraction and molecular dynamics resultsJ E Koehler, W Saenger, W F van GunsterenJournal of Molecular Biology|August 23, 1996
A combined quantum/classical molecular dynamics study of the catalytic mechanism of HIV proteaseH Liu, F Müller-Plathe, W F van GunsterenBiophysical Journal|May 29, 2000
On the temperature and pressure dependence of a range of properties of a type of water model commonly used in high-temperature protein unfolding simulationsR Walser, A E Mark, W F van GunsterenJournal of Molecular Biology|September 5, 1988
Conformational differences between alpha-cyclodextrin in aqueous solution and in crystalline form. A molecular dynamics studyJ E Koehler, W Saenger, W F van GunsterenActa Crystallographica. Section D, Biological Crystallography|January 1, 1995
Time-averaging crystallographic refinement: possibilities and limitations using alpha-cyclodextrin as a test systemC A Schiffer, P Gros, W F van GunsterenScience (New York, N.Y.)|September 7, 1990
Inclusion of thermal motion in crystallographic structures by restrained molecular dynamicsP Gros, W F van Gunsteren, W G HolEuropean Biophysics Journal : EBJ|January 1, 1987
A molecular dynamics simulation of crystalline alpha-cyclodextrin hexahydrateJ E Koehler, W Saenger, W F van GunsterenJournal of Computational Chemistry|October 9, 2002
An improved OPLS-AA force field for carbohydratesD Kony, W Damm, S Stoll, et al.Journal of Molecular Biology|July 5, 1990
Time-averaged nuclear Overhauser effect distance restraints applied to tendamistatA E Torda, R M Scheek, W F van GunsterenJournal of Molecular Biology|April 5, 1988
Molecular dynamics simulation of despentapeptide insulin in a crystalline environmentY Y Shi, R H Yun, W F van GunsterenPageof 37