Prediction of protein conformational freedom from distance constraints
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Collective dynamics underlying allosteric transitions in hemoglobinPrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsMolecular mechanisms of disease-causing missense mutationsMapping the conformational dynamics and pathways of spontaneous steric zipper Peptide oligomerizationConformational substates in different crystal forms of the photoactive yellow protein-Correlation with theoretical and experimental flexibilityRole of a PAS sensor domain in the Mycobacterium tuberculosis transcription regulator Rv1364cFunctional and structural roles of the glutathione-binding residues in maize (Zea mays) glutathione S-transferase IConformational transitions upon ligand binding: holo-structure prediction from apo conformationsProbing the flexibility of large conformational changes in protein structures through local perturbationsAnalysis of conformational variation in macromolecular structural modelsIn silico assessment of potential druggable pockets on the surface of α1-antitrypsin conformersNullspace Sampling with Holonomic Constraints Reveals Molecular Mechanisms of Protein GαsComparison of Algorithms for Prediction of Protein Structural Features from Evolutionary DataAn Algebro-topological description of protein domain structureArchaeal flagellin combines a bacterial type IV pilin domain with an Ig-like domainpmx: Automated protein structure and topology generation for alchemical perturbations.Refinement of atomic models in high resolution EM reconstructions using Flex-EM and local assessment.Structural alphabets derived from attractors in conformational space.Predicting Protein Dynamics and Allostery Using Multi-Protein Atomic Distance Constraints.Blurring contact maps of thousands of proteins: what we can learn by reconstructing 3D structure.Accelerated simulation of unfolding and refolding of a large single chain globular protein.Computational methods for constructing protein structure models from 3D electron microscopy maps.Computational and experimental approaches to reveal the effects of single nucleotide polymorphisms with respect to disease diagnosticsInhibition of thrombin formation by active site mutated (S360A) activated protein C.Rationale for more diverse inhibitors in competition with substrates in HIV-1 protease.Kinetic rate constant prediction supports the conformational selection mechanism of protein binding.Molecular dynamics simulations of peptides and proteins with amplified collective motions.Visualisation of variable binding pockets on protein surfaces by probabilistic analysis of related structure sets.Improving physical realism, stereochemistry, and side-chain accuracy in homology modeling: Four approaches that performed well in CASP8.Polyphony: superposition independent methods for ensemble-based drug discovery.Assessing the native state conformational distribution of ubiquitin by peptide acidityA different function for a member of an ancient and highly conserved cytochrome P450 family: from essential sterols to plant defense.Modeling of interaction between cytochrome c and the WD domains of Apaf-1: bifurcated salt bridges underlying apoptosome assembly.Substrate Specificity, Inhibitor Selectivity and Structure-Function Relationships of Aldo-Keto Reductase 1B15: A Novel Human Retinaldehyde Reductase.Mapping the Conformation Space of Wildtype and Mutant H-Ras with a Memetic, Cellular, and Multiscale Evolutionary Algorithm.The Phylogenetic Signature Underlying ATP Synthase c-Ring Compliance.Protein engineering by highly parallel screening of computationally designed variants.Experimentally assessing molecular dynamics sampling of the protein native state conformational distribution.Conformational and metal-binding properties of androcam, a testis-specific, calmodulin-related protein from Drosophila.Combining efficient conformational sampling with a deformable elastic network model facilitates structure refinement at low resolution.
P2860
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P2860
Prediction of protein conformational freedom from distance constraints
description
im Oktober 1997 veröffentlichter wissenschaftlicher Artikel
@de
scientific article published on 01 October 1997
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована в жовтні 1997
@uk
name
Prediction of protein conformational freedom from distance constraints
@en
Prediction of protein conformational freedom from distance constraints
@nl
type
label
Prediction of protein conformational freedom from distance constraints
@en
Prediction of protein conformational freedom from distance constraints
@nl
prefLabel
Prediction of protein conformational freedom from distance constraints
@en
Prediction of protein conformational freedom from distance constraints
@nl
P2093
P1433
P1476
Prediction of protein conformational freedom from distance constraints
@en
P2093
B L de Groot
H J Berendsen
R M Scheek
P304
P356
10.1002/(SICI)1097-0134(199710)29:2<240::AID-PROT11>3.0.CO;2-O
P407
P577
1997-10-01T00:00:00Z