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 ...
Wiring diagram of retinal neurons is first step toward mapping the human brain. From MIT NEWS (http://web.mit.edu/newsoffice) Neuroscientists reconstructed the arrangement of neurons in a section of mouse retina after imaging the tissue with electron microscopy. ...
1. Crystal structure of pre-activated arrestin p44 Yong Ju Kim,Klaus Peter Hofmann,Oliver P. Ernst,Patrick Scheerer,Hui-Woog Choe Martha E. Somme nature 497,142–146 (02 May 2013)mdoi:10.1038/nature12133 Abstract Arrestins interact with G-protein-coupled receptors ( ...
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 ...
Each time when we run pdb2gmx in gromacs, if we select charmm36 FF for our system, we always have following informations: Select the Water Model: 1: TIP3P TIP 3-point 2: TIP4P TIP 4-point 3: TIPS3P CHARMM TIP 3-point with LJ on H's (note: twice as slow in GROMACS), re ...
The GPCRDOCK 2013 contest hosted by Scripps Institute was finished months ago with the released of 5HT1B and 5HT2B crystal structures bound with agonist molecule Ergotamine. I also attended this event and compared my models with the crystal structure. My models were built in Modeller templ ...
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