JamBot: site:www.yasara.org side-chain

1-4 of about 4 matches for site:www.yasara.org side-chain

YASARA - Yet Another Scientific Artificial Reality Application

http://www.yasara.org/

clustering and interactive analysis Modeling and simulation on smartphones and tablets Side-chain prediction with electrostatics

Knowledge-based potentials in YASARA

http://www.yasara.org/kbpotentials.htm

orientation-dependent potential of a carboxyl group carbon around the arginine side-chain, blue indicates the

Docking in YASARA

http://www.yasara.org/docking.htm

of a receptor ensemble with alternative high-scoring solutions of the side-chain rotamer network. Keep

YASARA Changelog

http://www.yasara.org/changelog.htm

that failed to properly handle rings with stuck molecules (e.g. a lysine side-chain pointing through the

Structure validation

Macromolecular structure validation is the process of evaluating reliability for 3-dimensional atomic models of large biological molecules such as proteins and nucleic acids. These models, which provide 3D coordinates for each atom in the molecule (see example in the image), come from structural biology experiments such as x-ray crystallography or nuclear magnetic resonance (NMR). The validation has three aspects: 1) checking on the validity of the thousands to millions of measurements in the experiment; 2) checking how consistent the atomic model is with those experimental data; and 3) checking consistency of the model with known physical and chemical properties.

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