Increasing evidence indicates that patients develop post-operative cognitive decline (POCD)
following surgery. POCD is characterized by transient short-term decline in cognitive ability …

The pH-dependent structures of the ferritin shell (apoferritin, 24-mer) and the ferrihydrite
core, under physiological conditions that permit enzymatic activity, were investigated by …

The book represents a comprehensive review and synthesis of the biomedical literature that
spans over a half-century on a single protein called glyceraldehyde 3-phosphate …

General anaesthetics have enjoyed long and widespread use but their molecular
mechanism of action remains poorly understood. There is good evidence that their principal …

We have performed a systematic study of the entropy term in the MM/GBSA (molecular
mechanics combined with generalized Born and surface-area solvation) approach to …

Molecular mechanics combined with Poisson–Boltzmann or generalized Born and solvent-
accessible area solvation energies (MM/PBSA and MM/GBSA) are popular methods to …

An extensive search for isoflurane binding sites in the nicotinic acetylcholine receptor
(nAChR) and the proton gated ion channel from Gloebacter violaceus (GLIC) has been …

Background: Xenon is an elemental anesthetic with nine stable isotopes. Nuclear spin is a
quantum property which may differ among isotopes. Xenon 131 (131Xe) has nuclear spin of …

We have performed a large-scale test of alchemical perturbation calculations with the
Bennett acceptance-ratio (BAR) approach to estimate relative affinities for the binding of 107 …

Ketamine is an anesthetic, analgesic, and antidepressant whose secondary metabolite (2 R,
6 R)-hydroxynorketamine (HNK) has N-methyl-d-aspartate-receptor-independent …