The molecular mechanics program DUPLEX: Computing structures of carcinogen modified DNA by surveying the potential energy surface

1995 ◽  
Vol 5 (1-3) ◽  
pp. 219-227
Author(s):  
Brian E. Hingerty ◽  
Suse Broyde
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Molecular Mechanics ◽  
Energy Surface ◽  
Modified Dna

Modeling of the Various Minima on the Potential Energy Surface of Bispidine Copper(II) Complexes: A Further Test for Ligand Field Molecular Mechanics

2008 ◽  
Vol 47 (20) ◽  
pp. 9518-9527 ◽  
Author(s):  
Alexander Bentz ◽  
Peter Comba ◽  
Robert J. Deeth ◽  
Marion Kerscher ◽  
Björn Seibold ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Molecular Mechanics ◽  
Energy Surface ◽  
Ligand Field

A revised potential-energy surface for molecular mechanics studies of carbohydrates

1988 ◽  
Vol 180 (2) ◽  
pp. 207-221 ◽  
Author(s):  
Sookhee N. Ha ◽  
Ann Giammona ◽  
Martin Field ◽  
John W. Brady
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Molecular Mechanics ◽  
Energy Surface
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