Sampling Assessment for Molecular Simulations Using Conformational Entropy Calculations.
Oviedo, Spain. In J Chem Theory Comput, 2014
The utility of Sconform in sampling assessment is illustrated by carrying out test calculations on configurations produced by two extended molecular dynamics simulations, namely, a 2.0 μs trajectory of a highly flexible 17-residue peptide and the trajectory data set of the 1.0 ms bovine pancreatic trypsin inhibitor simulation provided by the D. E. Shaw research group.
Celecoxib and ion channels: a story of unexpected discoveries.
Oulu, Finland. In Eur J Pharmacol, 2014
In experimental systems varying from Drosophila to primary mammalian and human cell lines, celecoxib inhibits many voltage-activated Na(+), Ca(2+), and K(+) channels, including NaV1.5, L- and T-type Ca(2+) channels, KV1.5, KV2.1, KV4.3, KV7.1, KV11.1 (hERG), while stimulating other K(+) channels-KV7.2-5
Mercury toxicity and neurodegenerative effects.
Bari, Italy. In Rev Environ Contam Toxicol, 2013
In conclusion, depletion of GSH,breakage of mitochondria, increased lipid peroxidation, and oxidation of proteins and DNA in the brain, induced by mercury and his salts, appear to be important factors in conditions such as ALS and AD (Bains and Shaw 1997; Nicole eta!. 1998;Spencer eta!. 1998; Alberti et a!.
Margery Shaw, MD, JD: twice counselor.
In Jama, 1982
Geneticist and lawyer Margery Shaw is profiled and the work of Houston's Institute for the Interprofessional Study of Health Law is discussed.