Small structural modifications can significantly affect the pharmacokinetic properties of drug candidates. Most of the time in drug discovery are spend in optimizing compound properties including absorption, distribution, metabolism, and excretion (ADME). The four criteria all influence ...
Release Date: January 14, 2014. Graphics new labels visual additions : connectors, backgrounds, and outlines Note: We are building an interface that will make it easier to control labels interactively so that you won’t need to remember all of these settings explicitly, but th ...
From PLUMED community We are very pleased to announce that PLUMED2 is available at www.plumed-code.org. Version 2.0 is a complete rewrite, so there is no way to write a complete set of differences with respect to PLUMED. Here is a summary of the major differences: - The input is simpler a ...
2013 Nobel Prize in Chemistry The Nobel Prize in Chemistry 2013 was awarded jointly to Martin Karplus, Michael Levitt and Arieh Warshel for the development of multiscale models for complex chemical systems . Press Release The computer — your Virgil in the world ...
Nature (2013) doi:10.1038/nature12572 Abstract G-protein coupled receptors (GPCRs) are integral membrane proteins that have an essential role in human physiology, yet the molecular processes through which they bind to their endogenou ...
Published Online September 12 2013 Science Express Science DOI: 10.1126/science.1241475 Report Structure of the CCR5 Chemokine Receptor–HIV Entry Inhibitor Maraviroc Complex full text Abstract The CCR5 chemokine receptor acts as a co-receptor for HIV-1 viral entry. Here, we report ...
Structure of the human glucagon class B G-protein-coupled receptor Fai Yiu Siu,Min He,Chris de Graaf, et.al. Nature (2013) doi:10.1038/nature12393 Abstract : Binding of the glucagon peptide to the glucagon receptor (GCGR) triggers the release of glucose from the liver during fasting; thus GC ...
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