| pubmed-article:11455608 | rdf:type | pubmed:Citation | lld:pubmed |
| pubmed-article:11455608 | lifeskim:mentions | umls-concept:C0026336 | lld:lifeskim |
| pubmed-article:11455608 | lifeskim:mentions | umls-concept:C0033684 | lld:lifeskim |
| pubmed-article:11455608 | lifeskim:mentions | umls-concept:C0596957 | lld:lifeskim |
| pubmed-article:11455608 | lifeskim:mentions | umls-concept:C0439599 | lld:lifeskim |
| pubmed-article:11455608 | lifeskim:mentions | umls-concept:C1444662 | lld:lifeskim |
| pubmed-article:11455608 | lifeskim:mentions | umls-concept:C1522492 | lld:lifeskim |
| pubmed-article:11455608 | pubmed:issue | 3 | lld:pubmed |
| pubmed-article:11455608 | pubmed:dateCreated | 2001-7-16 | lld:pubmed |
| pubmed-article:11455608 | pubmed:abstractText | An intermediate-resolution model of small, homogeneous peptides is introduced, and discontinuous molecular dynamics simulation is applied to study secondary structure formation. Physically, each model residue consists of a detailed three-bead backbone and a simplified single-bead side-chain. Excluded volume and hydrogen bond interactions are constructed with discontinuous (i.e., hard-sphere and square-well) potentials. Simulation results show that the backbone motion of the model is limited to realistic regions of Phi-Psi conformational space. Model polyalanine chains undergo a locally cooperative transition to form alpha-helices that are stabilized by backbone hydrogen bonding, while model polyglycine chains tend to adopt nonhelical structures. When side-chain size is increased beyond a critical diameter, steric interactions prevent formation of long alpha-helices. These trends in helicity as a function of residue type have been well documented by experimental, theoretical, and simulation studies and demonstrate the ability of the intermediate-resolution model developed in this work to accurately mimic realistic peptide behavior. The efficient algorithm used permits observation of the complete helix-coil transition within 15 min on a single-processor workstation, suggesting that simulations of very long times are possible with this model. | lld:pubmed |
| pubmed-article:11455608 | pubmed:grant | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:11455608 | pubmed:language | eng | lld:pubmed |
| pubmed-article:11455608 | pubmed:journal | http://linkedlifedata.com/r... | lld:pubmed |
| pubmed-article:11455608 | pubmed:citationSubset | IM | lld:pubmed |
| pubmed-article:11455608 | pubmed:chemical | http://linkedlifedata.com/r... | lld:pubmed |
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| pubmed-article:11455608 | pubmed:status | MEDLINE | lld:pubmed |
| pubmed-article:11455608 | pubmed:month | Aug | lld:pubmed |
| pubmed-article:11455608 | pubmed:issn | 0887-3585 | lld:pubmed |
| pubmed-article:11455608 | pubmed:author | pubmed-author:HaleC BCB | lld:pubmed |
| pubmed-article:11455608 | pubmed:author | pubmed-author:Voegler... | lld:pubmed |
| pubmed-article:11455608 | pubmed:issnType | Print | lld:pubmed |
| pubmed-article:11455608 | pubmed:day | 15 | lld:pubmed |
| pubmed-article:11455608 | pubmed:volume | 44 | lld:pubmed |
| pubmed-article:11455608 | pubmed:owner | NLM | lld:pubmed |
| pubmed-article:11455608 | pubmed:authorsComplete | Y | lld:pubmed |
| pubmed-article:11455608 | pubmed:pagination | 344-60 | lld:pubmed |
| pubmed-article:11455608 | pubmed:dateRevised | 2007-11-14 | lld:pubmed |
| pubmed-article:11455608 | pubmed:meshHeading | pubmed-meshheading:11455608... | lld:pubmed |
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| pubmed-article:11455608 | pubmed:meshHeading | pubmed-meshheading:11455608... | lld:pubmed |
| pubmed-article:11455608 | pubmed:meshHeading | pubmed-meshheading:11455608... | lld:pubmed |
| pubmed-article:11455608 | pubmed:meshHeading | pubmed-meshheading:11455608... | lld:pubmed |
| pubmed-article:11455608 | pubmed:year | 2001 | lld:pubmed |
| pubmed-article:11455608 | pubmed:articleTitle | alpha-helix formation: discontinuous molecular dynamics on an intermediate-resolution protein model. | lld:pubmed |
| pubmed-article:11455608 | pubmed:affiliation | Department of Chemical Engineering, North Carolina State University, Raleigh, North Carolina 27695-7905, USA. | lld:pubmed |
| pubmed-article:11455608 | pubmed:publicationType | Journal Article | lld:pubmed |
| pubmed-article:11455608 | pubmed:publicationType | Research Support, U.S. Gov't, P.H.S. | lld:pubmed |
| pubmed-article:11455608 | pubmed:publicationType | Research Support, U.S. Gov't, Non-P.H.S. | lld:pubmed |
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