MOLECULAR DYNAMIC SIMULATION OF PEPTIDE POLYELECTROLYTES
The paper deals with investigation of the conformational properties of some charged homopolypeptides in dilute aqueous solutions by computer simulation. A method of molecular dynamics for the full-atomic models of polyaspartic acid and polylysine with explicit account of water and counter-ions is us...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Saint Petersburg National Research University of Information Technologies, Mechanics and Optics (ITMO University)
2014-07-01
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| Series: | Naučno-tehničeskij Vestnik Informacionnyh Tehnologij, Mehaniki i Optiki |
| Subjects: | |
| Online Access: | http://ntv.ifmo.ru/file/article/10389.pdf |