Computational Design of Thermostabilizing d -Amino Acid Substitutions

scientific article

Computational Design of Thermostabilizing d -Amino Acid Substitutions is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/JA205609C
P932PMC publication ID3443866
P698PubMed publication ID21978298
P5875ResearchGate publication ID51705058

P50authorVikas NandaQ41050119
P2093author name stringLei Zhang
Ronald L Koder
Srinivas Annavarapu
Agustina Rodriguez-Granillo
P2860cites workActivation of apoptosis in vivo by a hydrocarbon-stapled BH3 helixQ24537504
Helix cappingQ24673351
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Reaction mechanism of alanine racemase from Bacillus stearothermophilus: x-ray crystallographic studies of the enzyme bound with N-(5'-phosphopyridoxyl)alanineQ27638296
Designing a 20-residue proteinQ27638909
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Design and characterization of α-melanotropin peptide analogs cyclized through rhenium and technetium metal coordinationQ27765736
Comparison of multiple Amber force fields and development of improved protein backbone parametersQ27861040
Stereochemistry of polypeptide chain configurationsQ28190300
Diabetes mellitus due to misfolding of a beta-cell transcription factor: stereospecific frustration of a Schellman motif in HNF-1alphaQ28259766
ARIA2: automated NOE assignment and data integration in NMR structure calculationQ28275170
All-Atom Structure Prediction and Folding Simulations of a Stable ProteinQ29305923
Amino acid preferences for specific locations at the ends of alpha helicesQ29618508
MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology.Q30341299
Exploring peptide energy landscapes: a test of force fields and implicit solvent models.Q30343068
Stereoelectronic tuning of the structure and stability of the trp cage miniprotein.Q30356953
Helix signals in proteinsQ30400745
Contribution of hydration to protein folding thermodynamics. I. The enthalpy of hydrationQ30422336
Disulfide bond contribution to protein stability: positional effects of substitution in the hydrophobic core of the two-stranded alpha-helical coiled-coilQ30422747
Recognition of spatial motifs in protein structuresQ30432556
Fluorinated Coiled-Coil Proteins Prepared In Vivo Display Enhanced Thermal and Chemical StabilityQ30665183
Trp-cage: Folding free energy landscape in explicit waterQ30882903
The helical s constant for alanine in water derived from template-nucleated helicesQ31162195
Smaller and faster: the 20-residue Trp-cage protein folds in 4 microsQ33185015
Mirrors in the PDB: left-handed alpha-turns guide design with D-amino acidsQ33505834
Phylogeny of protein-folding trajectories reveals a unique pathway to native structureQ33580753
Crystal structure of a hydrophobic 19-residue peptide helix containing three centrally located d amino acidsQ33713973
Hydration of the peptide backbone largely defines the thermodynamic propensity scale of residues at the C' position of the C-capping box of alpha-helicesQ33943720
A novel main-chain anion-binding site in proteins: the nest. A particular combination of phi,psi values in successive residues gives rise to anion-binding sites that occur commonly and are found often at functionally important regionsQ33956731
Beta-hairpin families in globular proteinsQ34051356
Conformations of amino acids in proteins.Q34125546
Induced fit and the entropy of structural adaptation in the complexation of CAP and lambda-repressor with cognate DNA sequencesQ34190132
Configurational entropy of native proteinsQ34259798
Rules for alpha-helix termination by glycineQ34340813
Stereochemical punctuation marks in protein structures: glycine and proline containing helix stop signals 1 1Edited by J. ThorntonQ34457982
Understanding folding and design: replica-exchange simulations of "Trp-cage" miniproteinsQ35146195
Microsecond simulations of the folding/unfolding thermodynamics of the Trp-cage miniprotein.Q36501036
Conformationally restricted bicyclic analogs of somatostatinQ37587954
Glycine as a D-amino acid surrogate in the K(+)-selectivity filterQ37704835
The Trp cage: folding kinetics and unfolded state topology via molecular dynamics simulationsQ39124220
Thermodynamics of the Trp-cage miniprotein unfolding in ureaQ40002852
A small peptide stereochemically customized as a globular fold with a molecular cleftQ40443983
Capping and alpha-helix stabilityQ41330687
Highly active cyclic and bicyclic somatostatin analogues of reduced ring sizeQ41700642
The helical alanine controversy: an (Ala)6 insertion dramatically increases helicityQ41863409
Hydrophobic core malleability of a de novo designed three-helix bundle proteinQ43513136
Stabilization of coiled-coil peptide domains by introduction of trifluoroleucineQ43547613
Alpha helix capping and the conformation of threonineQ43599273
Controls exerted by the Aib residue: helix formation and helix reversalQ44062237
A thermodynamic scale for the helix-forming tendencies of the commonly occurring amino acidsQ44211659
D-amino acid residues in peptides and proteins.Q44309134
Ab initio folding simulation of the Trp-cage mini-protein approaches NMR resolutionQ44360114
Possible locally driven folding pathways of TC5b, a 20-residue proteinQ44496112
A highly stable short alpha-helix constrained by a main-chain hydrogen-bond surrogateQ45082554
Exploiting the right side of the Ramachandran plot: substitution of glycines by D-alanine can significantly increase protein stabilityQ45102646
Stereospecific peptide folds. A rationally designed molecular braceletQ45130422
Modular design of synthetic protein mimics. Characterization of the helical conformation of a 13-residue peptide in crystalsQ45451798
Folding simulations of Trp-cage mini protein in explicit solvent using biasing potential replica-exchange molecular dynamics simulationsQ46144488
Hyperstable miniproteins: additive effects of D- and L-Ala mutationsQ46249928
Dissecting the energetics of protein alpha-helix C-cap termination through chemical protein synthesisQ46919334
Amino acid propensities are position-dependent throughout the length of alpha-helicesQ47873966
Normal mode analysis using the driven molecular dynamics method. II. An application to biological macromoleculesQ51635683
Simulated Evolution of Emergent Chiral Structures in PolyalanineQ57837611
Differential helix propensity of small apolar side chains studied by molecular dynamics simulationsQ68165527
Accommodation of a D-Phe residue into a right-handed 3(10)-helix: structure of Boc-D-Phe-(Aib)4-Gly-L-Leu-(Aib)2-OMe, an analogue of the amino terminal segment of antiamoebins and emerimicinsQ70631674
Ambidextrous molecules: cylindrical peptide structures formed by fusing left- and right-handed helicesQ71394878
Side-chain conformational entropy in protein unfolded statesQ73912102
Unfolding thermodynamics of Trp-cage, a 20 residue miniprotein, studied by differential scanning calorimetry and circular dichroism spectroscopyQ79762735
Analysis and design of turns in alpha-helical hairpinsQ81405920
Ultrafast folding of a computationally designed Trp-cage mutant: Trp2-cageQ82631493
P433issue46
P407language of work or nameEnglishQ1860
P921main subjectcatalysisQ82264
computational designQ106195621
P304page(s)18750-9
P577publication date2011-11-23
P1433published inJournal of the American Chemical SocietyQ898902
P1476titleComputational Design of Thermostabilizing d -Amino Acid Substitutions
P478volume133

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cites work (P2860)
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Q89542344Molecular dynamics-derived rotamer libraries for d-amino acids within homochiral and heterochiral polypeptides
Q48255419N-terminal diproline and charge group effects on the stabilization of helical conformation in alanine-based short peptides: CD studies with water and methanol as solvent
Q37351363Using D-Amino Acids to Delineate the Mechanism of Protein Folding: Application to Trp-cage

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