GPUGRID.net

by ps3grid

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1:04 Visualization and quantification of enzyme-inhibitor binding process ps3grid 140 views 6 days ago This video features five superimposed molecular dynamics simulations of an enzyme-inhibitor system in water: trypsin-benzamidine. During the simulations, the inhibitor is f...
1:19 Visualizing the Induced Binding of SH2-Phosphopeptide (Supporting Video 2) ps3grid 64 views 2 months ago Five superimposed trajectories showing the Ac-pYEEI peptide binding to an SH2 domain. See also http://www.youtube.com/watch?v=V0Z52u8h2es for more information. Simulatio...
1:37 Visualizing the Induced Binding of SH2-Phosphopeptide (Supporting Video 1) ps3grid 484 views 2 months ago You are viewing how many cellular signals propagate between proteins inside a cell. The video shows an unbiased binding simulation of phosphorilated tetrapeptide pYEEI to ...
0:21 Auto-binding of the N-terminal in the HIV-1 protease maturation process ps3grid 521 views 5 months ago All-atom molecular simulation (500 ns) of immature HIV-1 protease. The protease becomes mature by first binding its own N-terminal, initially connected to another protein,...
0:40 MD simulation reproduces crystallographic trypsin-benzamidine complex by free ligand binding ps3grid 1,494 views 1 year ago We performed hundreds of MD simulations of free benzamidine binding to trypsin. We have captured several events of binding reproducing the crystallographic mode (PDB 3PTB)....
0:40 MD simulation reproduces crystallographic waters in pocket upon trypsin-benzamidine binding ps3grid 437 views 1 year ago Crystallographic waters found at trypsin's pocket are shown transparent, together with Asp189 sidechain and benzamidine. We performed hundreds of free benzamidine binding M...
4:21 Proteins are complex molecules essential to life ps3grid 286 views 1 year ago The Laboratory of Computational Biophysics studies protein dynamics, kinetics and energetics using mainly molecular dynamics simulations on graphics processing units. In...
0:37 Wide-opening of the HIV-1 protease active site ps3grid 3,315 views 2 years ago This is a 50 ns all-atom simulation of the HIV-1 protease showing the wide-opening of the active site. The function of the HIV-1 protease is to cut polyprotein chains. It d...
0:27 2010_03_HERG_bind_HD ps3grid 162 views 2 years ago
0:17 2010_03_GA_HD ps3grid 296 views 2 years ago

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About GPUGRID.net

by ps3grid

Latest Activity

May 24, 2012

Date Joined

May 13, 2010

Age

32

Country

Spain

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