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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
Version:
Publisher's version

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Publisher copy:
10.1016/j.bpj.2016.06.028

Authors


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Institution:
University of Oxford
Department:
Oxford, MPLS, Computer Science
Role:
Author
Publisher:
Biophysical Society Publisher's website
Journal:
Biophysical Journal Journal website
Volume:
111
Issue:
4
Pages:
710–721
Publication date:
2016-08-23
Acceptance date:
2016-06-22
DOI:
EISSN:
1542-0086
ISSN:
0006-3495
URN:
uuid:415026a9-0923-4d74-a38e-45e3306a32dd
Source identifiers:
632210
Local pid:
pubs:632210

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