Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations
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The roles of entropy and kinetics in structure predictionInvariant amino acids essential for decoding function of polypeptide release factor eRF1.SPARTA+: a modest improvement in empirical NMR chemical shift prediction by means of an artificial neural networkImproved side-chain torsion potentials for the Amber ff99SB protein force fieldModulation of calcium oxalate dihydrate growth by selective crystal-face binding of phosphorylated osteopontin and polyaspartate peptide showing occlusion by sectoral (compositional) zoningThe origins of femtomolar protein-ligand binding: hydrogen-bond cooperativity and desolvation energetics in the biotin-(strept)avidin binding siteCHARMM: the biomolecular simulation programRNA folding pathways in stop motion.Rapid sampling of molecular motions with prior information constraintsReintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA HydrationPrecision is essential for efficient catalysis in an evolved Kemp eliminaseHydrogen bonding penalty upon ligand bindingProbabilistic prediction of contacts in protein-ligand complexesA Probabilistic Graphical Model for Ab Initio FoldingDouble mutation in photosystem II reaction centers and elevated CO2 grant thermotolerance to mesophilic cyanobacteriumA probabilistic and continuous model of protein conformational space for template-free modelingFragment-free approach to protein folding using conditional neural fieldsDensity functional study of molecular interactions in secondary structures of proteinsA new hydrogen-bonding potential for the design of protein-RNA interactions predicts specific contacts and discriminates decoysInterplay of hydrogen bonds and n→π* interactions in proteinsA global machine learning based scoring function for protein structure prediction.Structure prediction of domain insertion proteins from structures of individual domains.Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture.Generalized ensemble methods for de novo structure prediction.p3d--Python module for structural bioinformatics.Structure prediction for CASP8 with all-atom refinement using Rosetta.Template-based and free modeling by RAPTOR++ in CASP8"Solvent hydrogen-bond occlusion": A new model of polar desolvation for biomolecular energetics.Trends in template/fragment-free protein structure predictionThe VSGB 2.0 model: a next generation energy model for high resolution protein structure modeling.Computed structures of point deletion mutants and their enzymatic activities.Designing specific protein-protein interactions using computation, experimental library screening, or integrated methodsLigand preference and orientation in b- and c-type heme-binding proteins.Solvent-induced differentiation of protein backbone hydrogen bonds in calmodulin.Building native protein conformation from highly approximate backbone torsion angles.Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptidesDe novo backbone scaffolds for protein design.Do Halogen-Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand-Protein Binding?Challenges in protein folding simulations: Timescale, representation, and analysisFunctional roles of nucleosome stability and dynamics.
P2860
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P2860
Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations
description
2004 nî lūn-bûn
@nan
2004 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
Close agreement between the or ...... uantum mechanical calculations
@ast
Close agreement between the or ...... uantum mechanical calculations
@en
type
label
Close agreement between the or ...... uantum mechanical calculations
@ast
Close agreement between the or ...... uantum mechanical calculations
@en
prefLabel
Close agreement between the or ...... uantum mechanical calculations
@ast
Close agreement between the or ...... uantum mechanical calculations
@en
P2860
P3181
P356
P1476
Close agreement between the or ...... uantum mechanical calculations
@en
P2093
Alexandre V Morozov
Kiril Tsemekhman
P2860
P304
P3181
P356
10.1073/PNAS.0307578101
P407
P577
2004-05-04T00:00:00Z