New theoretical methodology for elucidating the solution structure of peptides from NMR data. II. Free energy of dominant microstates of Leu-enkephalin and population-weighted average nuclear Overhauser effects intensities

scientific article published on January 1996

New theoretical methodology for elucidating the solution structure of peptides from NMR data. II. Free energy of dominant microstates of Leu-enkephalin and population-weighted average nuclear Overhauser effects intensities is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1002/(SICI)1097-0282(199601)38:1<69::AID-BIP6>3.0.CO;2-U
P698PubMed publication ID8679943

P2093author name stringMeirovitch E
Meirovitch H
P2860cites workEquation of State Calculations by Fast Computing MachinesQ5384234
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Accessible surface areas as a measure of the thermodynamic parameters of hydration of peptidesQ24610354
Atomic solvation parameters applied to molecular dynamics of proteins in solutionQ24676145
Analysis and prediction of the different types of beta-turn in proteinsQ28292391
A two-dimensional nuclear Overhauser enhancement (2D NOE) experiment for the elucidation of complete proton-proton cross-relaxation networks in biological macromoleculesQ29616473
Determination of cyclopeptide conformations in solution using NMR data and conformational energy calculationsQ30785093
Immunogenic peptides corresponding to the dominant antigenic region alanine-597 to cysteine-619 in the transmembrane protein of simian immunodeficiency virus have a propensity to fold in aqueous solutionQ31106079
Multi-conformational peptide dynamics derived from NMR data: A new search algorithm and its application to antamanideQ31152807
Conformational preferences of [Leu5]enkephalin in biomimetic media. Investigation by 1H NMR.Q34077540
Conformational preferences of synthetic peptides derived from the immunodominant site of the circumsporozoite protein of Plasmodium falciparum by 1H NMR.Q34276542
Monte Carlo-minimization approach to the multiple-minima problem in protein foldingQ34347829
Folding of immunogenic peptide fragments of proteins in water solution. I. Sequence requirements for the formation of a reverse turnQ36354861
Two-, three-, and four-dimensional NMR methods for obtaining larger and more precise three-dimensional structures of proteins in solution.Q36410983
Conformation of peptide fragments of proteins in aqueous solution: implications for initiation of protein foldingQ36428829
Nuclear Overhauser effects in linear peptides. A low-temperature 500 MHz study of Met-enkephalinQ36466523
Stabilization of a type VI turn in a family of linear peptides in water solutionQ36727362
Three-dimensional structure of a type VI turn in a linear peptide in water solution. Evidence for stacking of aromatic rings as a major stabilizing factorQ36727367
Peptide models of protein folding initiation sites. 2. The G-H turn region of myoglobin acts as a helix stop signalQ36785884
Defining solution conformations of small linear peptidesQ37234407
Cyclic pentapeptides as models for reverse turns: determination of the equilibrium distribution between type I and type II conformations of Pro-Asn and Pro-Ala beta-turnsQ38071180
Free energy via molecular simulation: applications to chemical and biomolecular systemsQ38648060
Computer simulation of the free energy of peptides with the local states method: analogues of gonadotropin releasing hormone in the random coil and stable statesQ40685170
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Side chain-backbone hydrogen bonding contributes to helix stability in peptides derived from an alpha-helical region of carboxypeptidase A.Q41161629
Topographical requirements for delta-selective opioid peptidesQ44335859
Quantitative two-dimensional NMR study of dermenkephalin, a highly potent and selective delta-opioid peptideQ44339226
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Investigation of conformational specificity at GPIIb/IIIa: evaluation of conformationally constrained RGD peptidesQ67580868
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Multiple conformational states of proteins: a molecular dynamics analysis of myoglobinQ69706390
Dynamic space structure of the Leu-enkephalin molecule in DMSO solutionQ69745346
Nanosecond time scale folding dynamics of a pentapeptide in waterQ70176155
Structure and dynamics of the acid-denatured molten globule state of alpha-lactalbumin: a two-dimensional NMR studyQ70576073
Surface area included in energy refinement of proteins. A comparative study on atomic solvation parametersQ72095857
Conformational mobility in cyclic oligopeptidesQ72227711
Computer simulation of the free energy of polymer chains with excluded volume and with finite interactionsQ77819303
Packing structures and transitions in liquids and solidsQ81031838
P433issue1
P921main subjectenkephalinQ325101
solution structureQ99235426
P304page(s)69-88
P577publication date1996-01-01
P1433published inBiopolymersQ15767528
P1476titleNew theoretical methodology for elucidating the solution structure of peptides from NMR data. II. Free energy of dominant microstates of Leu-enkephalin and population-weighted average nuclear Overhauser effects intensities
P478volume38

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cites work (P2860)
Q38796296Conformational flexibility of aspartame.
Q43720309Cross-checking of nanoelectrospray ionization mass spectrometry and computer simulation for the evaluation of the interaction strength of non-covalently bound enkephalins in solution
Q30579093Free energy based populations of interconverting microstates of a cyclic peptide lead to the experimental NMR data
Q34989920Insights into the structure and dynamics of unfolded proteins from nuclear magnetic resonance
Q52081847Maximum entropy approach to the determination of solution conformation of flexible polypeptides by global conformational analysis and NMR spectroscopy--application to DNS1-c-[D-A2,bu2,Trp4,Leu5]enkephalin and DNS1-c-[D-A2bu2,Trp4,D-Leu5]enkephalin.
Q39958434Methods for calculating the absolute entropy and free energy of biological systems based on ideas from polymer physics
Q37276103Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding
Q74199456On the transferability of atomic solvation parameters: Ab initio structural prediction of cyclic heptapeptides in DMSO
Q35596690The conformation of enkephalin bound to its receptor: an "elusive goal" becoming reality

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