Search Results for "hydrogen"

Modified version of AutoGrow, autogrow.ucsd.edu/ , with a mutation script added in the class files, and a global change of the defined mutation point from Hydrogen atoms to Calphas, to allow placement of Amino Acids. Deposited are 3 versions, used for my PhD Thesis. These allow for mutation of short 2-15 amino acid peptides, and associated screening of these using AutoDock or AutoDock Vina, allowing for 8 CPU systems to screen 10K peptides a day or 1-2K with flexible residues added in. A detailed method for determining the peptide ligand for any sequenced and modeled T cell receptor will be published and link added at some point. ...

The purpose of this program is to plot the waveforms of the hydrogen wave function. The program has 4 option's. First, plotting the radial function, second, plotting the radial probability, third, 2d wave function,last, 3d wave function.

A collection of applets used to demonstrate physics and math principles. The applets include: a ray diagram drawing applet, a collision of disks applet, an electromagnetic field mapper and a 3d hydrogen orbital simulation.

PCP-net is a browser-based application to calculate preheating temperature, heat input and carbon equivalent, which can be used to avoid hydrogen cracking (cold cracking) in unalloyed and low-alloyed ferritic steels.