-
Photosynthetic Protein Spectroscopy Lab
Tools | 19 Oct 2020 | Contributor(s):: Safa Ahad, Chientzu Lin, Michael Earl Reppert
This tool parses PDB structures of photosynthetic proteins to identify pigments, calculate inter-pigment interactions, and simulate optical spectra for the complex.
-
Demo of Loading and Visualizing Proteins from the RCSB Protein Data Bank
Tools | 14 Dec 2016 | Contributor(s):: Martin Hunt
Demo of Loading and Visualizing Proteins from the RCSB Protein Data Bank
-
cadnano to PDB File Converter
Tools | 13 Nov 2013 | Contributor(s):: Jejoong Yoo, AbderRahman N Sobh, Chen-Yu Li, Aleksei Aksimentiev
Accepts CadNano files in the form of *.json and outputs a file in *.pdb which can be read by programs such as VMD.
-
Tensile Mechanics of alpha-Helical Polypeptides
Tools | 30 Aug 2013 | Contributor(s):: Korosh Torabi, George C. Schatz
This model is capable of making quantitatively accurate predictions of force-extension behavior of a given helix-forming polypeptide sequence including its dependence on pH, temperature and ionic strength.
-
Stretching simulation of an alpha-helical protein domain
Tools | 10 Jan 2011 | Contributor(s):: Markus Buehler, Justin Riley, Joo-Hyoung Lee, Jeffrey C Grossman
Uses steered molecular dynamics (SMD) to apply a tensile load to the ends of a molecule (such as an alpha-helical protein domain)
-
PNP Cyclic Peptide Ion Channel Model
Tools | 04 Apr 2007 | Contributor(s):: Brian Radak, Hyonseok Hwang, George C. Schatz, Mark Ratner
This tool simulates ion flow in a system modeled after cyclic peptide ion channels using Poisson-Nernst-Planck (PNP) theory.