Browsing VI-SEEM Life Sciences by Title
Now showing items 10-15 of 15
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Metal-Organic Frameworks as drug delivery systems: The case of IRMOF-74-III and gemcitabine studied by MD simulations
(BRFAA, 2017-04-27)A multiscale computational study is reported that investigates the microscopic behavior of the anti-cancer drug gemcitabine (GEM) stored in metal organic frameworks IRMOF-74-III and the functionalized OH-IRMOF-74-III. ... -
Molecular Dynamics simulations of lysozyme in water
(BRFAA, 2015-05-02)The main objective of this practical is to provide an overview of classical Molecu- lar Dynamics (MD) simulations and Normal Mode Analysis (NMA) by examining the protein Lysozyme within the framework of the NAMD program. -
Principles of Computer-Aided Drug Design
(BRFAA, 2016-10-21)Principles of Computer-Aided Drug Design -
PSOMI - VERSION 1
(2016-12) -
Sequence Prediction Algorithms vs. Infrared Spectroscopy for Proteins Secondary Structure Optimization
(2018-09-28)More than 80% of the known protein structures are determined using the Macromolecular Crystallography (MX) technique that is feasible in only Synchrotron light facilities. Two difficulties may arise in this case: (1) the ... -
Thermodynamic patterns of eukaryotic genes
(2018)As it reads the information encoded throughout the genome, RNA polymerase II can travel along the DNA template for thousands of nucleotides. In the process, it encounters the physical forces of DNA/DNA and RNA/DNA pairing ...