Ontology highlight
ABSTRACT:
SUBMITTER: Diller DJ
PROVIDER: S-EPMC2919288 | biostudies-literature | 2010 Aug
REPOSITORIES: biostudies-literature
Diller David J DJ Humblet Christine C Zhang Xiaohua X Westerhoff Lance M LM
Proteins 20100801 10
Alanine scanning is a powerful experimental tool for understanding the key interactions in protein-protein interfaces. Linear scaling semiempirical quantum mechanical calculations are now sufficiently fast and robust to allow meaningful calculations on large systems such as proteins, RNA and DNA. In particular, they have proven useful in understanding protein-ligand interactions. Here we ask the question: can these linear scaling quantum mechanical methods developed for protein-ligand scoring be ...[more]