Biomolecular simulation: a computational microscope for molecular biology.
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How drugs get into cells: tested and testable predictions to help discriminate between transporter-mediated uptake and lipoidal bilayer diffusionRevealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics SimulationsMolecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithmsMonoamine transporters: insights from molecular dynamics simulationsMD Simulations of tRNA and Aminoacyl-tRNA Synthetases: Dynamics, Folding, Binding, and AllosteryQM/MM molecular dynamics studies of metal binding proteinsThe ensemble nature of allosteryNanoinformatics: emerging databases and available toolsRecent advances in QM/MM free energy calculations using reference potentialsHow fast does a signal propagate through proteins?Communication over the network of binary switches regulates the activation of A2A adenosine receptorTwo polymorphisms facilitate differences in plasticity between two chicken major histocompatibility complex class I proteinsMolecular dynamics study of the opening mechanism for DNA polymerase IStapled BH3 peptides against MCL-1: mechanism and design using atomistic simulationsThe impact of a ligand binding on strand migration in the SAM-I riboswitchAutomated identification of functional dynamic contact networks from X-ray crystallographyStructural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin AnaloguesStructural insight into selectivity and resistance profiles of ROS1 tyrosine kinase inhibitors.Keep on moving: discovering and perturbing the conformational dynamics of enzymesNullspace Sampling with Holonomic Constraints Reveals Molecular Mechanisms of Protein GαsPath Similarity Analysis: A Method for Quantifying Macromolecular PathwaysUnbiased Rare Event Sampling in Spatial Stochastic Systems Biology Models Using a Weighted Ensemble of TrajectoriesDevelopment of an informatics infrastructure for data exchange of biomolecular simulations: Architecture, data models and ontologyMicroscopic insight into thermodynamics of conformational changes of SAP-SLAM complex in signal transduction cascade."Small Blood Vessels: Big Health Problems?": Scientific Recommendations of the National Institutes of Health Workshop.The influence of N-linked glycans on the molecular dynamics of the HIV-1 gp120 V3 loop.Molecular dynamics simulations: from structure function relationships to drug discovery.Internal coordinate molecular dynamics: a foundation for multiscale dynamicsIntegrating atomistic molecular dynamics simulations, experiments, and network analysis to study protein dynamics: strength in unity.Sampling Enrichment toward Target Structures Using Hybrid Molecular Dynamics-Monte Carlo Simulations.DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions.Geometric Potentials for Computational Protein Sequence Design.The Mutational Landscape of the Oncogenic MZF1 SCAN Domain in Cancer.High quality NMR structures: a new force field with implicit water and membrane solvation for Xplor-NIH.Coarse-Grained Models for Protein-Cell Membrane Interactions.Preferential binding effects on protein structure and dynamics revealed by coarse-grained Monte Carlo simulation.An optimal distance cutoff for contact-based Protein Structure Networks using side-chain centers of mass.Modeling and simulation of ion channels.Progress in developing Poisson-Boltzmann equation solvers.Real time ligand-induced motion mappings of AChBP and nAChR using X-ray single molecule tracking
P2860
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P2860
Biomolecular simulation: a computational microscope for molecular biology.
description
2012 nî lūn-bûn
@nan
2012 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
Biomolecular simulation: a computational microscope for molecular biology.
@ast
Biomolecular simulation: a computational microscope for molecular biology.
@en
Biomolecular simulation: a computational microscope for molecular biology.
@nl
type
label
Biomolecular simulation: a computational microscope for molecular biology.
@ast
Biomolecular simulation: a computational microscope for molecular biology.
@en
Biomolecular simulation: a computational microscope for molecular biology.
@nl
prefLabel
Biomolecular simulation: a computational microscope for molecular biology.
@ast
Biomolecular simulation: a computational microscope for molecular biology.
@en
Biomolecular simulation: a computational microscope for molecular biology.
@nl
P2093
P1476
Biomolecular simulation: a computational microscope for molecular biology.
@en
P2093
David E Shaw
Huafeng Xu
J P Grossman
Robert M Dirks
Ron O Dror
P304
P356
10.1146/ANNUREV-BIOPHYS-042910-155245
P577
2012-01-01T00:00:00Z