Interplay between hydrophobic cluster and loop propensity in beta-hairpin formation: a mechanistic study

scientific article published on March 2003

Interplay between hydrophobic cluster and loop propensity in beta-hairpin formation: a mechanistic study is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1110/PS.0227203
P932PMC publication ID2312445
P698PubMed publication ID12592024
P5875ResearchGate publication ID8207785

P50authorDanilo RoccatanoQ39643024
Giorgio ColomboQ41044487
P2093author name stringGiacomo M S De Mori
P2860cites workA revised set of potentials for beta-turn formation in proteinsQ24675540
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Mechanism by which 2,2,2-trifluoroethanol/water mixtures stabilize secondary-structure formation in peptides: a molecular dynamics studyQ34155536
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A molecular dynamics study of the 41-56 beta-hairpin from B1 domain of protein GQ36281250
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Folding thermodynamics of a model three-helix-bundle protein.Q36818942
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Amyloid fibril formation and protein misassembly: a structural quest for insights into amyloid and prion diseasesQ41509791
Formation and stability of beta-hairpin structures in polypeptidesQ41728322
Interstrand side chain--side chain interactions in a designed beta-hairpin: significance of both lateral and diagonal pairingsQ43727544
Calculation of the free energy of solvation for neutral analogs of amino acid side chainsQ43956197
Size-independent comparison of protein three-dimensional structuresQ47351957
Molecular dynamics simulations of a beta-hairpin fragment of protein G: balance between side-chain and backbone forcesQ47621645
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Elucidating the folding problem of alpha-helices: local motifs, long-range electrostatics, ionic-strength dependence and prediction of NMR parameters.Q52231700
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"New view" of protein folding reconciled with the old through multiple unfolding simulations.Q52528318
The effect of motional averaging on the calculation of NMR-derived structural propertiesQ58616291
Nanosecond time scale folding dynamics of a pentapeptide in waterQ70176155
De novo design and structural analysis of a model beta-hairpin peptide systemQ71169131
Guidelines for protein design: the energetics of beta sheet side chain interactionsQ71542152
First-principles calculation of the folding free energy of a three-helix bundle proteinQ71902964
Backbone flexibility and stability of reverse turn conformation in a model systemQ72726461
Theoretical studies of protein-folding thermodynamics and kineticsQ73070810
Dynamics of a type VI reverse turn in a linear peptide in aqueous solutionQ73175506
Designed beta-hairpin peptides with defined tight turn stereochemistryQ73420674
Interplay between hydrophobic cluster and loop propensity in beta-hairpin formationQ73441806
A Designed beta-Hairpin Containing a Natural Hydrophobic Cluster This research was supported by the National Science Foundation (CHE-9820952). J.F.E. was supported by a fellowship from the Ministerio de Educacion y Cultura (Spain) and the FulbrightQ74166059
Folding-unfolding thermodynamics of a beta-heptapeptide from equilibrium simulationsQ74452346
Minimal model systems for beta sheet secondary structure in proteinsQ77891983
P433issue3
P921main subjecthydrophobicityQ41854968
P304page(s)538-550
P577publication date2003-03-01
P1433published inProtein ScienceQ7251445
P1476titleInterplay between hydrophobic cluster and loop propensity in beta-hairpin formation: a mechanistic study
P478volume12

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cites work (P2860)
Q31004138Effect of hexafluoroisopropanol alcohol on the structure of melittin: a molecular dynamics simulation study
Q40940259Folding thermodynamics of β-hairpins studied by replica-exchange molecular dynamics simulations
Q34492990Free-energy landscape of the GB1 hairpin in all-atom explicit solvent simulations with different force fields: Similarities and differences
Q35090961Microscopic events in β-hairpin folding from alternative unfolded ensembles
Q46072147Molecular dynamics simulations of certain mutant peptide models from staphylococcal nuclease reveal that initial hydrophobic collapse associated with turn propensity drives β-hairpin folding.
Q46040853Molecular dynamics simulations to investigate the structural stability and aggregation behavior of the GGVVIA oligomers derived from amyloid beta peptide
Q40916137Protein beta-sheet nucleation is driven by local modular formation
Q57794249Protein design: from computer models to artificial intelligence
Q30394241The role of β20-β21 loop structure in insecticidal activity of Cry1Ac toxin from Bacillus thuringiensis

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