Role of solvent in determining conformational preferences of alanine dipeptide in water.
about
A backbone-based theory of protein foldingLocal order in the unfolded state: conformational biases and nearest neighbor interactionsBiomolecular electrostatics and solvation: a computational perspectiveThe protein folding problemExperimental conformational energy maps of proteins and peptides.Effects of solvents on the intrinsic propensity of peptide backbone conformations.The polyproline II conformation in short alanine peptides is noncooperativeOrigin of the neighboring residue effect on peptide backbone conformation.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).Amino acids with hydrogen-bonding side chains have an intrinsic tendency to sample various turn conformations in aqueous solution.Unusual compactness of a polyproline type II structure.Exploring the helix-coil transition via all-atom equilibrium ensemble simulationsPolyproline II propensities from GGXGG peptides reveal an anticorrelation with beta-sheet scalesAb initio-based exciton model of amide I vibrations in peptides: definition, conformational dependence, and transferability.Contribution of the empirical dispersion correction on the conformation of short alanine peptides obtained by gas-phase QM calculations.The intrinsic conformational features of amino acids from a protein coil library and their applications in force field development.pH-Independence of trialanine and the effects of termini blocking in short peptides: a combined vibrational, NMR, UVCD, and molecular dynamics studyAssessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume termsProbing the effect of conformational constraint on phosphorylated ligand binding to an SH2 domain using polarizable force field simulations.A desolvation model for trifluoroethanol-induced aggregation of enhanced green fluorescent protein.Preferred peptide backbone conformations in the unfolded state revealed by the structure analysis of alanine-based (AXA) tripeptides in aqueous solution.Conformational sampling of peptides in cellular environments.Stereoelectronic effects on polyproline conformationProtein-solvent interactionsCharacterizing aqueous solution conformations of a peptide backbone using Raman optical activity computations.The relationship between water bridges and the polyproline II conformation: a large-scale analysis of molecular dynamics simulations and crystal structures.Application of nonlinear dimensionality reduction to characterize the conformational landscape of small peptides.Reassessing random-coil statistics in unfolded proteins.Antifreeze glycoprotein agents: structural requirements for activity.Biomedical applications of dipeptides and tripeptides.Interfacial water at the trialanine hydrophilic surface: a DFT electronic structure and bottom-up investigation.Constructing explicit magnetic analogies for the dynamics of glass forming liquids.Solvation Effect on the Conformations of Alanine Dipeptide: Integral Equation Approach.Intrinsic α-helical and β-sheet conformational preferences: a computational case study of alanine.Secondary-structure analysis of denatured proteins by vacuum-ultraviolet circular dichroism spectroscopyDirect calculations of vibrational absorption and circular dichroism spectra of alanine dipeptide analog in water: quantum mechanical/molecular mechanical molecular dynamics simulations.Solvation model induced structural changes in peptides. A quantum chemical study on Ramachandran surfaces and conformers of alanine diamide using the polarizable continuum model.Assessing backbone solvation effects in the conformational propensities of amino acid residues in unfolded peptides.Aggregation of polyalanine in a hydrophobic environment.The influence of solvent on conformational properties of peptides with Aib residue-a DFT study.
P2860
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P2860
Role of solvent in determining conformational preferences of alanine dipeptide in water.
description
2004 nî lūn-bûn
@nan
2004年の論文
@ja
2004年学术文章
@wuu
2004年学术文章
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2004年学术文章
@zh-cn
2004年学术文章
@zh-hans
2004年学术文章
@zh-my
2004年学术文章
@zh-sg
2004年學術文章
@yue
2004年學術文章
@zh-hant
name
Role of solvent in determining conformational preferences of alanine dipeptide in water.
@en
Role of solvent in determining conformational preferences of alanine dipeptide in water.
@nl
type
label
Role of solvent in determining conformational preferences of alanine dipeptide in water.
@en
Role of solvent in determining conformational preferences of alanine dipeptide in water.
@nl
prefLabel
Role of solvent in determining conformational preferences of alanine dipeptide in water.
@en
Role of solvent in determining conformational preferences of alanine dipeptide in water.
@nl
P356
P1476
Role of solvent in determining conformational preferences of alanine dipeptide in water
@en
P2093
Alexander N Drozdov
Rohit V Pappu
P304
P356
10.1021/JA039051X
P407
P577
2004-03-01T00:00:00Z