We point out that these site-specific considerations of flexibility actually closely resemble the definition of irreplaceability (Section III.11), and also are at odds with the later definitions of Pressey et al. (2003, 2004), who treated flexibility as a property of a reserve network or solution, not as a property of an individual area.
Promising approaches using explicit water molecules in the binding pocket [10] (approximation ii) and treating target flexibility (approximation iii) have been reported for focused docking [29].
The necessity of treating receptor flexibility in protein-ligand docking has been widely acknowledged and is the subject of extensive research in the field of drug discovery [1].
We treated cognitive flexibility slightly differently from other NP functions, due to confounding of its functioning status in classification under certain profiles, specifically for states 7, 14, 21, and 28.
We suggest that NMA derived MRC of BACE1 is an efficient way to treat the receptor flexibility in docking and thus can be further applied in virtual screening and structure based drug design.
In many methods the ligand, usually a small molecule with up to dozens of atoms, is treated as flexible, but the flexibility of the protein/receptor (for simplicity, herein protein and receptor are synonymous), depending on their complexity and size, which can reach dozens of thousands of atoms, is still treated in a more restricted manner.
They argued that the C.I.A. sometimes needs the "flexibility" to treat detainees in the war on terrorism in "cruel, inhuman, and degrading" ways.
Though traditional QFD calculations consider the ratings as cardinal numbers, DEA has the flexibility to treat the ratings as qualitative variables.
A broad set of guidelines was developed in accordance with best practice which gave therapists the flexibility to treat patients on an individual basis without being overly prescriptive.
Do show some flexibility, and treat the ones you love in a way they would consider as a legitimate way of showing it.
