We attempt to introduce the latest developments in drug design based on computational techniques, including protein structure modeling, docking, binding site prediction, quantitative structure activity relationship (QSAR), and molecular dynamics simulation.
We thank the reviewer for bringing this reference, which is based on computational lattice models of proteins, to our attention.
CESA that was predicted to impair protein function based on computational modeling (Slabaugh et al., 2014b).
The identification of histidine kinases (HKs) and response regulators (RRs) of putative two-component systems (TCSs) of the eight mutans streptococci strains was carried out based on computational domain analysis of the predicted protein sequences.
Recently, protein-protein interaction (PPI) network based on computational methods have been used to identify disease-specific genes, modules, and cancer-subtype subnetworks [ 14- 16].
A total of 2,641 putative protein-coding genes were identified based on computational analysis of the N. ceranae genome sequences.
Many bovine proteins are only partially annotated or are based on computational prediction.
40– 42 Based on computational methods, thermostability can be studied by performing high temperature simulation to denature the protein, namely thermal unfolding simulation.
For proteins not having annotated subcellular information, their subcellular location assignments are based on computational prediction.
For data on protein isoform sequences, we considered two independent sources – one based on manually curated database of splice isoforms, and another based on computational delineation of splice isoforms from EST sequences.
