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Molecular design of a "molecular syringe" mimic for metal cations using a 1, 3-alternate calix[4]arene cavity.
Xiaoyan Zheng
Xueye Wang
Keqi Shen
Nuanqing Wang
Yueming Peng
Published in:
J. Comput. Chem. (2010)
Keyphrases
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molecular dynamics
user interface
design tools
design principles
computer aided
design process
building blocks
molecular structure
conceptual model
power consumption
real time
control system
multi agent
case study
feature selection
learning algorithm
genetic algorithm
real world