TY - CHAP
T1 - Computational Approaches in Peptide and Protein Design
T2 - An Overview
AU - Nikiforovich, Gregory V.
AU - Marshall, Garland R.
PY - 2009/9/21
Y1 - 2009/9/21
KW - 3D arrangement of functional groups of ligand and '3D pharmacophore'
KW - CXCR4 G-protein-coupled receptor (GPCR) and cyclopentapeptide inhibitors
KW - Cambridge Structural Database (CSD), Protein Data Bank (PDB) and Swiss-Prot/TrEMBL
KW - Critical assessment of structure predictions (CASP)
KW - Energy estimations based on GROMOS or OPLS-AA force fields
KW - GROMOS and OPLS-AA maps
KW - Modern peptide and protein drug design problems - structure-based and target-based design
KW - Peptide and protein design computational approaches
KW - QM/MM and polarizable force fields in peptide and protein design
KW - Routine MM force fields - AMBER, OPLS, ECEPP
UR - http://www.scopus.com/inward/record.url?scp=84890595282&partnerID=8YFLogxK
U2 - 10.1002/9780470749708.ch2
DO - 10.1002/9780470749708.ch2
M3 - Chapter
AN - SCOPUS:84890595282
SN - 9780470319611
SP - 5
EP - 48
BT - Peptide and Protein Design for Biopharmaceutical Applications
PB - John Wiley and Sons
ER -