Linked Life Data

20603369

Source:http://linkedlifedata.com/resource/pubmed/id/20603369

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
pubmed:issue
1924
pubmed:dateCreated
2010-7-6
pubmed:abstractText
Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not, in general, applicable to soft, chemically inhomogeneous systems. The configurational complexity of biomolecules means the entropic contribution to the free energy is a significant factor in their behaviour, requiring detailed dynamical calculations to fully evaluate. Computer simulations capable of taking all interatomic interactions into account are therefore vital. However, even with the best current supercomputing facilities, we are unable to capture enough of the most interesting aspects of their behaviour to properly understand how they work. This limits our ability to design new molecules, to treat diseases, for example. Progress in biomolecular simulation depends crucially on increasing the computing power available. Faster classical computers are in the pipeline, but these provide only incremental improvements. Quantum computing offers the possibility of performing huge numbers of calculations in parallel, when it becomes available. We discuss the current open questions in biomolecular simulation, how these might be addressed using quantum computation and speculate on the future importance of quantum-assisted biomolecular modelling.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Aug
pubmed:issn
1364-503X
pubmed:author
pubmed:issnType
Print
pubmed:day
13
pubmed:volume
368
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
3581-92
pubmed:meshHeading
pubmed:year
2010
pubmed:articleTitle
Quantum-assisted biomolecular modelling.
pubmed:affiliation
School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT, UK. s.a.harris@leeds.ac.uk
pubmed:publicationType
Journal Article, Review, Research Support, Non-U.S. Gov't