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Modelling functional motions of biological systems by customised natural moves

Abstract:

Simulating the functional motions of biomolecular systems requires large computational resources. We introduce a computationally inexpensive protocol for the systematic testing of hypotheses regarding the dynamic behaviour of proteins and nucleic acids. The protocol is based on Natural Move Monte Carlo, a highly efficient conformational sampling method with in-built customisation capabilities that allows researchers to design and perform a large number of simulations to investigate functional...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1016/j.bpj.2016.06.028

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Computer Science
Role:
Author
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Institution:
University of Oxford
Division:
MPLS
Department:
Statistics
Role:
Author
More by this author
Institution:
University of Oxford
Division:
Societies, Other & Subsidiary Companies
Department:
Kellogg College
Oxford college:
Kellogg College
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Computer Science
Role:
Author
Publisher:
Biophysical Society Publisher's website
Journal:
Biophysical Journal Journal website
Volume:
11
Issue:
4
Pages:
710-721
Publication date:
2016-08-23
Acceptance date:
2016-06-22
DOI:
EISSN:
1542-0086
ISSN:
0006-3496
Source identifiers:
632210
Pubs id:
pubs:632210
UUID:
uuid:80368733-4299-4ff6-abca-f32372c41f55
Local pid:
pubs:632210
Deposit date:
2016-08-11

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