The relationship between water bridges and the polyproline II conformation: a large-scale analysis of molecular dynamics simulations and crystal structures

scientific article published on January 2010

The relationship between water bridges and the polyproline II conformation: a large-scale analysis of molecular dynamics simulations and crystal structures is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1093/PROTEIN/GZP069
P932PMC publication ID2791050
P698PubMed publication ID19917655
P5875ResearchGate publication ID38093506

P50authorValerie DaggettQ7911257
P2093author name stringPeter B Law
P2860cites workLocal water bridges and protein conformational stabilityQ41899065
Host−Guest Study of Left-Handed Polyproline II Helix FormationQ43809923
Dynameomics: mass annotation of protein dynamics and unfolding in water by high-throughput atomistic molecular dynamics simulationsQ44637148
Role of solvent in determining conformational preferences of alanine dipeptide in water.Q44775722
The conformation of tetraalanine in water determined by polarized Raman, FT-IR, and VCD spectroscopyQ44783193
Statistical and molecular dynamics studies of buried waters in globular proteinsQ46529625
Region-specific role of water in collagen unwinding and assemblyQ46668125
Methods for molecular dynamics simulations of protein folding/unfolding in solutionQ47609594
A microscopic view of peptide and protein solvationQ47614067
Simulations of the structural and dynamical properties of denatured proteins: the “molten coil” state of bovine pancreatic trypsin inhibitorQ47625640
Analysis of main chain torsion angles in proteins: prediction of NMR coupling constants for native and random coil conformationsQ47630147
Intrinsic phi, psi propensities of amino acids, derived from the coil regions of known structuresQ47631461
Molecular dynamics simulations of helix denaturationQ47637533
Distributions of water around amino acid residues in proteinsQ47643805
Polyproline II helix is the preferred conformation for unfolded polyalanine in waterQ47715263
Conformational properties of a peptide model for unfolded alpha-helicesQ51893400
Code for collagen's stability decipheredQ57961164
Water-inserted alpha-helical segments implicate reverse turns as folding intermediatesQ69633330
Circular dichroism of poly-L-proline in an unordered conformationQ72172886
Molecular dynamics simulations of polypeptide conformations in water: A comparison of alpha, beta, and poly(pro)II conformationsQ78136342
Origin of the sequence-dependent polyproline II structure in unfolded peptidesQ81282353
The Protein Data BankQ24515306
A consensus view of fold space: Combining SCOP, CATH, and the Dali Domain DictionaryQ24647013
Molecular mimicry enables competitive recruitment by a natively disordered proteinQ27644179
Crystal and Molecular Structure of a Collagen-Like Peptide at 1.9 Å ResolutionQ27729918
Hydration structure of a collagen peptideQ27732212
Crystal structures of the human p56lck SH2 domain in complex with two short phosphotyrosyl peptides at 1.0 A and 1.8 A resolutionQ27732619
UCSF Chimera--a visualization system for exploratory research and analysisQ27860666
Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical featuresQ27860675
The structure of "unstructured" regions in peptides and proteins: role of the polyproline II helix in protein folding and recognitionQ30160324
The Protein Coil Library: a structural database of nonhelix, nonstrand fragments derived from the PDB.Q30845175
Further evidence for the absence of polyproline II stretch in the XAO peptide.Q31097580
A novel method reveals that solvent water favors polyproline II over beta-strand conformation in peptides and unfolded proteins: conditional hydrophobic accessible surface area (CHASA).Q31133660
Dynameomics: design of a computational lab workflow and scientific data repository for protein simulationsQ31152585
The intrinsic conformational propensities of the 20 naturally occurring amino acids and reflection of these propensities in proteinsQ31172579
Towards a complete description of the structural and dynamic properties of the denatured state of barnase and the role of residual structure in foldingQ33179891
Helix, sheet, and polyproline II frequencies and strong nearest neighbor effects in a restricted coil libraryQ33218650
Dynameomics: a multi-dimensional analysis-optimized database for dynamic protein dataQ33328150
Characterization of residual structure in the thermally denatured state of barnase by simulation and experiment: Description of the folding pathwayQ33702131
Unusual compactness of a polyproline type II structureQ33920025
Polyproline II structure in a sequence of seven alanine residues.Q34034318
Significance of bound water to local chain conformations in protein crystals.Q34068734
Polyproline II propensities from GGXGG peptides reveal an anticorrelation with beta-sheet scalesQ34212739
Structural basis of FFAT motif-mediated ER targetingQ34432371
Polyproline II conformation is one of many local conformational states and is not an overall conformation of unfolded peptides and proteins.Q34478711
Is polyproline II a major backbone conformation in unfolded proteins?Q34989900
Protein folding from a highly disordered denatured state: the folding pathway of chymotrypsin inhibitor 2 at atomic resolutionQ35246273
The alanine-rich XAO peptide adopts a heterogeneous population, including turn-like and polyproline II conformationsQ35800301
Conformation of the backbone in unfolded proteins.Q36472811
Solvent molecules bridge the mechanical unfolding transition state of a proteinQ36491231
Comparison between the phi distribution of the amino acids in the protein database and NMR data indicates that amino acids have various phi propensities in the random coil conformationQ36671524
Atomic-level characterization of disordered protein ensemblesQ36717589
A simple model for polyproline II structure in unfolded states of alanine-based peptidesQ38270402
P4510describes a project that usesSQLQ47607
P433issue1
P921main subjectcrystal structureQ895901
P304page(s)27-33
P577publication date2010-01-01
P1433published inProtein Engineering Design and SelectionQ15762396
P1476titleThe relationship between water bridges and the polyproline II conformation: a large-scale analysis of molecular dynamics simulations and crystal structures
P478volume23

Reverse relations

cites work (P2860)
Q33950636Conformational Changes of Trialanine Induced by Direct Interactions between Alanine Residues and Alcohols in Binary Mixtures of Water with Glycerol and Ethanol
Q51362334Conformational analysis of short polar side-chain amino-acids through umbrella sampling and DFT calculations
Q30009896Polyproline-II Helix in Proteins: Structure and Function
Q86479866The structure of poly-l-lysine in different solvents
Q84582698Water interaction differences determine the relative energetic stability of the polyproline II conformation of the alanine dipeptide in aqueous environments
Q33863993Water-Mediated Conformations of the Alanine Dipeptide as Revealed by Distributed Umbrella Sampling Simulations, Quantum Mechanics Based Calculations, and Experimental Data

Search more.