3,640 research outputs found
Molecular dynamics simulations of DNA and its complexes
No full textThis article describes how classical molecular simulation methods are being used to gain a molecular-level understanding of the interaction mechanisms responsible for DNA-ligand recognition, and that govern the response of DNA to ligand binding. Case studies using a variety of different ligands-including small pharmaceutical drugs, proteins and lipids—are used to illustrate the power of modern molecular dynamics simulation methods for understanding how we may control the function and structure of DNA
Theoretical aspects of the enantiomeric resolution of dimetallo helicates with different surface topologies on cellulose columns
No full textCellulose has been used to separate the enantiomers of a range of dimetallo coordination compounds with different surface topologies. The compounds are all approximately cylindrical in shape, but are based on octahedral coordination at the metals and are also helical. When separation has been achieved, the first eluted enantiomer has always been proven to have a negative circular dichroism (CD) signal for its longest wavelength metal to ligand charge transfer band. In order to understand the underlying basis for the elution order, gas phase molecular dynamics and snap-shot minimisations of each enantiomer with the repeat unit of cellulose, glucose, have been undertaken. For new dimetallo helicates, it is important to have a quick assessment of the enantiomeric identity of the first eluted compound. To this end, the coupled-oscillator model of CD has been applied to relate the signs of the CD signals to the identity of the enantiomers. This correlation is consistent with crystallographic data for the first eluted enantiomer of the parent compound
Database for: Excavations at Tall Jawa, Jordan: Volume 3, The Iron Age Pottery
No full textThis is a Microsoft Access database of imagery, drawings, and photos accompanying Excavations at Tall Jawa, Jordan: Volume 3, The Iron Age Pottery by P.M. Michèle Daviau. The text and database present a detailed typology of the Iron Age pottery excavated from 1989 to 1995. Together, they represent an in-depth analysis of the forming techniques employed to make each type of vessel from bowls to colanders, cooking pots to pithoi.
The digital archive is a work in progress by the author. The archive currently holds the collection for Excavation Field D. Upon completion, it will include seven collections, each one consisting of a database of diagnostic sherds and vessels as well as the images of these pots as .tiff files. Databases are related to excavation fields and are designed for meaningful searches: A, B, C-east, C-west, A-east (associated with C-west), D and E
Student Recital: Robert Jackson, Tenor; Rodger Burnett, Horn; February 27, 1975
No full textHayden AuditoriumThursday EveningFebruary 27, 19757:00 P.M
Burgundian Quintet: Carol Neuleib, Flute; Barry Kolman, Clarinet; Beth Christensen, Oboe; Mary Dalziel, Bassoon; Rodger Burnett, Horn; February 2, 1975
No full textHayden AuditoriumSunday AfternoonFebruary 2, 19754:00 p.m
Junior Recital: Rodger Burnett, Horn; Kent Wehman, Piano; Benny Kemp, Piano; Frank Schwarzwalder, Violin; May 7, 1975
No full textHayden AuditoriumWednesday EveningMay 7, 19758:30 p.m
Burgundian Quintet: Carol Neuleib, Flute; Barry Kolman, Clarinet; Beth Christensen, Oboe; Mary Dalziel, Bassoon; Rodger Burnett, Horn; December 4, 1974
No full textHayden AuditoriumWednesday EveningDecember 4, 19748:30 p.m
Senior Recital: Rodger Burnett, Horn; Julian Dawson, Piano; Maggie Mooha, Piano; Greg Kunde, Tenor; May 2, 1976
No full textCentennial East Recital HallSunday EveningMay 2, 19768:30 p.m
IoWoman, March/April 2004, Vol. 34, no. 2
No full textNewsletter for the Iowa Commission on the Status of Wome
IoWoman, March/April 2004, Vol.34, no.2
No full textNewsletter for the Iowa Commission on the Status of Wome
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