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Conformational flexibility of the leucine binding protein examined by protein domain coarse-grained molecular dynamics.Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties.Efficient quantification of the importance of contacts for the dynamical stability of proteins.RNA and protein 3D structure modeling: similarities and differences.Trends in template/fragment-free protein structure predictionNuclear magnetic resonance signal chemical shifts and molecular simulations: a multidisciplinary approach to modeling copper protein structures.Ensemble properties of network rigidity reveal allosteric mechanisms.Coupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase II.An Anisotropic Coarse-Grained Model for Proteins Based On Gay-Berne and Electric Multipole Potentials.Theoretical frameworks for multiscale modeling and simulationComputational modeling of RNA 3D structures, with the aid of experimental restraints.Molecular basis for the dissociation dynamics of protein A-immunoglobulin G1 complex.ModeRNA: a tool for comparative modeling of RNA 3D structureMSCALE: A General Utility for Multiscale Modeling.Computational approaches to understanding protein aggregation in neurodegeneration.Recent advances in transferable coarse-grained modeling of proteins.Minimalist models for proteins: a comparative analysis.Beyond standard molecular dynamics: investigating the molecular mechanisms of G protein-coupled receptors with enhanced molecular dynamics methods.Relation between molecular shape and the morphology of self-assembling aggregates: a simulation study.Multiscale design of coarse-grained elastic network-based potentials for the μ opioid receptor.Stochastic quasi-Newton method: application to minimal model for proteins.Tabulation as a high-resolution alternative to coarse-graining protein interactions: Initial application to virus capsid subunits.Diffusion within the cytoplasm: a mesoscale model of interacting macromoleculesFunctional modes and residue flexibility control the anisotropic response of guanylate kinase to mechanical stressMolecular simulations of cellular processes.Hybrid All-Atom/Coarse-Grained Simulations of Proteins by Direct Coupling of CHARMM and PRIMO Force Fields.RNA 3D Structure Modeling by Combination of Template-Based Method ModeRNA, Template-Free Folding with SimRNA, and Refinement with QRNAS.Adaptive multiscale molecular dynamics of macromolecular fluids.Analysis of computational models for an accurate study of electronic excitations in GFP.Multiscale simulations for understanding the evolution and mechanism of hierarchical peptide self-assembly.Brownian dynamics simulations on CPU and GPU with BD_BOX.A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site.Predicting long term cooperativity and specific modulators of receptor interactions in human transferrin from dynamics within a single microstate.New Paradigms and Future Critical Directions in Heterogeneous Catalysis and Multifunctional ReactorsDesign of Aggregate Structures and Molecular Capture by Using Molecular-Cluster-Assembly MethodThe relative entropy is fundamental to adaptive resolution simulationsNucleotide-Induced Conformational Dynamics in ABC Transporters from Structure-Based Coarse Grained ModelingBioinformatics Tools and Benchmarks for Computational Docking and 3D Structure Prediction of RNA-Protein Complexes
P2860
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P2860
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on February 2010
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Multiscale modeling of proteins.
@en
Multiscale modeling of proteins.
@nl
type
label
Multiscale modeling of proteins.
@en
Multiscale modeling of proteins.
@nl
prefLabel
Multiscale modeling of proteins.
@en
Multiscale modeling of proteins.
@nl
P356
P1476
Multiscale modeling of proteins.
@en
P304
P356
10.1021/AR9001476
P407
P577
2010-02-01T00:00:00Z