Clustering Molecular Dynamics Trajectories: 1. Characterizing the Performance of Different Clustering Algorithms.
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Structure of HI-6*sarin-acetylcholinesterase determined by X-ray crystallography and molecular dynamics simulation: reactivator mechanism and designStructural diversity of supercoiled DNA.Everything you wanted to know about Markov State Models but were afraid to askKnotted proteins: A tangled tale of Structural BiologyIdentification of Chalcones as Fasciola hepatica Cathepsin L Inhibitors Using a Comprehensive Experimental and Computational ApproachStructural dynamics as a contributor to error-prone replication by an RNA-dependent RNA polymerase.Conformational sampling and nucleotide-dependent transitions of the GroEL subunit probed by unbiased molecular dynamics simulationsFunctional motions of Candida antarctica lipase B: a survey through open-close conformationsThe Carbohydrate-Binding Site in Galectin-3 Is Preorganized To Recognize a Sugarlike Framework of Oxygens: Ultra-High-Resolution Structures and Water DynamicsSolution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methodsMutation in transforming growth factor beta induced protein associated with granular corneal dystrophy type 1 reduces the proteolytic susceptibility through local structural stabilizationMolecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structureSolution structure, dynamics and binding studies of a family 11 carbohydrate-binding module from Clostridium thermocellum (CtCBM11)Rational optimization of conformational effects induced by hydrocarbon staples in peptides and their binding interfacesVirtual screening and biological evaluation of inhibitors targeting the XPA-ERCC1 interactionUtilizing a dynamical description of IspH to aid in the development of novel antimicrobial drugsOn the modularity of the intrinsic flexibility of the µ opioid receptor: a computational studyAn Effective Approach for Clustering InhA Molecular Dynamics Trajectory Using Substrate-Binding Cavity FeaturesThe Mechanism by which 146-N-Glycan Affects the Active Site of NeuraminidaseF429 Regulation of Tunnels in Cytochrome P450 2B4: A Top Down Study of Multiple Molecular Dynamics SimulationsConformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation EquilibriaIdentification of New Antifungal Compounds Targeting Thioredoxin Reductase of Paracoccidioides GenusEfficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin DynamicsPotent new small-molecule inhibitor of botulinum neurotoxin serotype A endopeptidase developed by synthesis-based computer-aided molecular designSmall molecules showing significant protection of mice against botulinum neurotoxin serotype AInsights into the folding and unfolding processes of wild-type and mutated SH3 domain by molecular dynamics and replica exchange molecular dynamics simulations.Robustness of atomistic Gō models in predicting native-like folding intermediates.Conformational and functional analysis of molecular dynamics trajectories by self-organising maps.The Unique Binding Mode of Laulimalide to Two Tubulin Protofilaments.A geometric clustering algorithm with applications to structural dataDetermining protein structures by combining semireliable data with atomistic physical models by Bayesian inferenceDistinct glycan topology for avian and human sialopentasaccharide receptor analogues upon binding different hemagglutinins: a molecular dynamics perspective.FF12MC: A revised AMBER forcefield and new protein simulation protocol.Blind protein structure prediction using accelerated free-energy simulationsMolecular-level simulation of pandemic influenza glycoproteins.Event detection and sub-state discovery from biomolecular simulations using higher-order statistics: application to enzyme adenylate kinase.Principal component and clustering analysis on molecular dynamics data of the ribosomal L11·23S subdomainStructural and energetic analysis of 2-aminobenzimidazole inhibitors in complex with the hepatitis C virus IRES RNA using molecular dynamics simulations.USP15 regulates SMURF2 kinetics through C-lobe mediated deubiquitination.Comparing geometric and kinetic cluster algorithms for molecular simulation data.
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P2860
Clustering Molecular Dynamics Trajectories: 1. Characterizing the Performance of Different Clustering Algorithms.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
Clustering Molecular Dynamics ...... fferent Clustering Algorithms.
@ast
Clustering Molecular Dynamics ...... fferent Clustering Algorithms.
@en
type
label
Clustering Molecular Dynamics ...... fferent Clustering Algorithms.
@ast
Clustering Molecular Dynamics ...... fferent Clustering Algorithms.
@en
prefLabel
Clustering Molecular Dynamics ...... fferent Clustering Algorithms.
@ast
Clustering Molecular Dynamics ...... fferent Clustering Algorithms.
@en
P2093
P356
P1476
Clustering Molecular Dynamics ...... fferent Clustering Algorithms.
@en
P2093
Jianyin Shao
Nephi Thompson
Stephen W Tanner
P304
P356
10.1021/CT700119M
P577
2007-11-01T00:00:00Z