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Discovering oxygen channel topology in photosystem II using implicit ligand sampling and wavefront propagation.
Tatiana Zaraiskaya
Sergei Vassiliev
Doug Bruce
Published in:
J. Comput. Sci. (2014)
Keyphrases
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random sampling
multi channel
sampling algorithm
high throughput
communication channels
drug design
high temperature
space variant
topology preserving
sampling strategy
topology preservation
real time
social networks
monte carlo
noisy channel
virtual screening