Selenoglycosides in silico: ab initio-derived reparameterization of MM4, conformational analysis using histo-blood group ABH antigens and lectin docking as indication for potential of bioactivity
Journal article, 2010
mistletoe lectin
solid-phase
binding
Molecular mechanics
Drug design
Selenoglycoside
Lectins
specificities
pseudomonas-aeruginosa
alcohols
ethers
plant
Blood group antigens
genetic algorithm search
force-field
mammalian lectins
Author
F. Strino
University of Gothenburg
Biognos AB
J. H. Lii
National Changhua University of Education
Ashok Krishna Chaitanya Koppisetty
Chalmers, Computer Science and Engineering (Chalmers), Computing Science (Chalmers)
Per-Georg Nyholm
Biognos AB
University of Gothenburg
H. J. Gabius
Ludwig Maximilian University of Munich (LMU)
Journal of Computer-Aided Molecular Design
0920-654X (ISSN) 1573-4951 (eISSN)
Vol. 24 12 1009-1021Subject Categories
Industrial Biotechnology
DOI
10.1007/s10822-010-9392-y