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DEVELOPMENT OF A FORCE FIELD FOR ARTEMISININ AND MOLECULAR DYNAMICS SIMULATION OF THE DISSOLUTION OF ARTEMISININ IN DIFFERENT SOLVENTS

โœ Scribed by YANG, QUAN; ACHENIE, LUKE E.


Book ID
121246813
Publisher
World Scientific Publishing Company
Year
2013
Tongue
English
Weight
347 KB
Volume
12
Category
Article
ISSN
0219-6336

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## Abstract The increasing importance of hydrogenase enzymes in the new energy research field has led us to examine the structure and dynamics of potential hydrogenase mimics, based on a ferroceneโ€“peptide scaffold, using molecular dynamics (MD) simulations. To enable this MD study, a molecular mech