I would like to take the PDB file and get a description of its tertiary structure.
For structural similarity:
http://www.ebi.ac.uk/msd-srv/ssm/
http://ekhidna.biocenter.helsinki.fi/dali_server/start
https://topsearch.services.came.sbg.ac.at/
For description of a structure:
http://www.proteopedia.org/wiki/index.php/Main_Page
http://www.ebi.ac.uk/pdbsum/
http://oca.weizmann.ac.il/oca-docs/oca-home.html
I'm not looking for a structural similarity. I need automatic classification.
I'm interested in the possibility of reproducing thermodynamic properties within 5%.
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What do you think about SwissParam, MolMeccano, GAAMP?
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What is better for a beginner?
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Thanks.
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Such interactions are explicitly considered in the force fields of the 70s.
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.
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