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STRUCTURE AND ATOMIC FLUCTUATION PATTERNS OF POTATO CARBOXYPEPTIDASE A INHIBITOR PROTEIN - A MOLECULAR-DYNAMICS STUDY IN WATER
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University.
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1995 (English)In: EUROPEAN BIOPHYSICS JOURNAL, ISSN 0175-7571, Vol. 24, no 1, 1-11 p.Article in journal (Other scientific) Published
Abstract [en]

Molecular dynamics (MD) simulation methods were applied to the study of the structural and dynamic fluctuation properties of the potato carboxypeptidase A inhibitor protein (PCI) immersed in a bath of 1259 water molecules. A trajectory of 200 ps was gener

Place, publisher, year, edition, pages
SPRINGER VERLAG , 1995. Vol. 24, no 1, 1-11 p.
Keyword [en]
CARBOXYPEPTIDASE INHIBITOR; MOLECULAR DYNAMICS; COMPUTER SIMULATION; NMR X-RAY COMPARISON; SOLVENT EFFECTS; NUCLEAR MAGNETIC-RESONANCE; 3-DIMENSIONAL STRUCTURE; COMPUTER-SIMULATION; TRYPSIN-INHIBITOR; DISTANCE GEOMETRY; CONFORMATIONS; ENERGY
Identifiers
URN: urn:nbn:se:uu:diva-76427OAI: oai:DiVA.org:uu-76427DiVA: diva2:104339
Note
Addresses: UNIV UPPSALA, DEPT PHYS CHEM, S-75121 UPPSALA, SWEDEN. UNIV AUTONOMA BARCELONA, INST BIOL FONAMENTAL, E-08193 BARCELONA, SPAIN. UNIV AUTONOMA BARCELONA, DEPT BIOQUIM, E-08193 BARCELONA, SPAIN.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-15

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