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Quantum mechanics simulation of protein dynamics on long timescale |
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| Authors: | Liu H Elstner M Kaxiras E Frauenheim T Hermans J Yang W |
| Affiliation: | Department of Chemistry, Duke University, Durham, North Carolina, USA. |
| Abstract: | |
| Keywords: | crambin [http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=1AB1] [http://www.rcsb.org/pdb/cgi/explore.cgi?pdbId=1EJG] protein structure quantum mechanics molecular dynamics simulation structural accuracy |
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