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Absolute Binding Free Energies: A Quantitative Approach for Their ...

Aug 13, 2003 ... Abstract. The computation of absolute binding affinities by molecular dynamics ... Predictions of Ligand Selectivity from Absolute Binding Free Energy Calculations ... Electron Transfer in Shewanella oneidensis: Analysis by Free Energy ..... A Machine Learning-Based Method To Improve Docking Scoring...

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vTC: Machine Learning Based Traffic ... - ACM Digital Library

Mar 11, 2016 ... vTC: Machine Learning Based Traffic Classification as a Virtual Network Function ... ABSTRACT. Network ... Average downloads per article, 189.00 ... Matthias Steinbrecher , Pascal Held, Computational Intelligence: A ... Be the first to comment To Post a comment please sign in or create a free Web account...

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Vienna-PTM web server: a toolkit for MD simulations of protein post ...

May 22, 2013 ... Abstract. Post-translational modifications (PTMs) play a key role in .... In the latter case, the PDB file is automatically downloaded from . ... and the modification programs are executed on the same physical machine. ..... A biomolecular force field based on the free enthalpy of hydration and.....

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Chromatin Modification and the Endothelial-specific Activation of the ...

Mar 25, 2005 ... Abstract. E-selectin plays a role in the binding and extravasation of leukocytes from the bloodstream. .... monitored using a Mx3000P real-time PCR machine (Stratagene). .... Download as PowerPoint Slide ..... Abstract/FREE Full Text. ↵ .... Anest, V., Hanson, J. L., Cogswell, P. C., Steinbrecher, K. A., Strahl,.....

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Chance and Serendipity in Science: Two Examples from My Own ...

Nov 4, 2011 ... Abstract. The usual scientific paper follows a rather narrowly (but not ever .... Download as PowerPoint Slide ... invited investigators to come and give their magic machine a try. ... rats and humans can readily convert free phytol to phytanic acid (14, 15). ...... Kesaniemi Y. A.,; Witztum J. L.,; Steinbrecher U. P..

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Intestinal Cell Proliferation and Senescence Are Regulated by ...

Jan 3, 2014 ... Abstract. Guanylyl cyclase C (GC-C) is expressed in intestinal epithelial .... All mice were housed under specific pathogen-free conditions and maintained in individually ventilated cages. ... kit (Bioline, India) on an ABI 7000 real time PCR machine (Applied Biosystems). .... Download as PowerPoint Slide.

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Current | Schrödinger

Register: 1:00pm EST. abstract |. share ... Introduction and Case Studies in Free Energy Perturbation for Lead Optimization. Dr. Thomas Steinbrecher.

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