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PERTURBATION-RELAXATION MOLECULAR-DYNAMICS SIMULATIONS AS A TOOL TO EXPLORE CONFORMATIONAL SPACE - REVERSIBLE RESPONSE OF THE L3 LOOP IN PORIN TOWARDS CHARGE SCREENING EFFECTS
Uppsala University.
Uppsala University.
Uppsala University.
1995 (English)In: MOLECULAR SIMULATION, ISSN 0892-7022, Vol. 15, no 1, 35-46 p.Article in journal (Other scientific) Published
Abstract [en]

A molecular dynamics perturbation-relaxation method is proposed for sensing the response of MD-equilibrated structures to external perturbing conditions. The procedure permits a searching of conformations that are interconvertible with a given structure w

Place, publisher, year, edition, pages
GORDON BREACH SCI PUBL LTD , 1995. Vol. 15, no 1, 35-46 p.
Keyword [en]
MD SIMULATIONS; PERTURBATION RELAXATION METHOD; PORINS; L3 LOOP; CONFORMATIONAL SPACE SEARCH; PHOTOSYNTHETIC REACTION CENTERS; RHODOBACTER-CAPSULATUS; ELECTRON-TRANSFER; ESCHERICHIA-COLI; CARBON-MONOXIDE; PROTEIN; RESOLUTION; ENERGY; MOTION; CHANNEL
Identifiers
URN: urn:nbn:se:uu:diva-76317OAI: oai:DiVA.org:uu-76317DiVA: diva2:104229
Note
Addresses: SOARES CM, UNIV UPPSALA, DEPT PHYS CHEM, BOX 532, S-75121 UPPSALA, SWEDEN.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-15

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