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
Artikel i vetenskaplig tidskrift, 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
Författare
F. Strino
Göteborgs universitet
Biognos AB
J. H. Lii
National Changhua University of Education
Ashok Krishna Chaitanya Koppisetty
Chalmers, Data- och informationsteknik, Datavetenskap
Per-Georg Nyholm
Biognos AB
Göteborgs universitet
H. J. Gabius
Ludwig-Maximilians-Universität München (LMU)
Journal of Computer-Aided Molecular Design
0920-654X (ISSN) 1573-4951 (eISSN)
Vol. 24 12 1009-1021Ämneskategorier
Industriell bioteknik
DOI
10.1007/s10822-010-9392-y