Titlebook: Computational Toxicology; Volume I Brad Reisfeld,Arthur N. Mayeno Book 2013 Springer Science+Business Media, LLC 2013 chemical property pre

古老

無政府主義者

Lester Mandelker,Peter Vajdovichion of drugs in overdose provides a basis for understanding the time course of effects of drugs in overdose. Relevant clinical toxicology examples are provided to explain various pharmacokinetic principles. Throughout this chapter we have taken a pragmatic approach to understanding and interpreting the time course of drug effects.

miniature

臭名昭著

Oratory

Role of Computational Methods in Pharmaceutical Sciencesinsights into the use of free energy perturbation methods for efficiently computing binding energy. These in silico methods are complementary and can be easily integrated into the traditional in vitro and in vivo methods to test pharmacological hypothesis.

ANTI

Prediction of Physicochemical Propertiescalculation of each of these properties from quantitative structure–property relationships (QSPRs) and from available software is discussed in detail, and recommendations made. Finally, detailed consideration is given of guidelines for the development of QSPRs and QSARs.

JUST

猜忌

Prediction of Pharmacokinetic Parametersmodels developed for successful prediction of the ADME parameters like oral absorption, bioavailability, plasma protein binding, tissue distribution, clearance, half-life, etc. have been briefly described in this chapter.

macabre

PATRI

Studies on Urban Vehicular Ad-hoc Networks The study cases will cover a standard MD simulation performed to investigate the overall flexibility of a cytochrome P450 (CYP) enzyme and a set of more advanced MD simulations to examine the barrier to ion conduction in a human α7 nicotinic acetylcholine receptor (nAChR).