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An Improved Empirical Potential Energy Function for Molecular Simulations of Phospholipids

โœ Scribed by Feller, Scott E.; MacKerell, Alexander D.


Book ID
120512586
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
59 KB
Volume
104
Category
Article
ISSN
0022-3654

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At present, most molecular mechanics programs that model metalloproteins do not allow for specific geometric requirements at metal centers. An analysis of small-molecule crystal structures containing four-, five-, and six-coordinated zinc, retrieved from the Cambridge Structural Database (CSD), lead