about
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulationsConformational selection in protein binding and functionSmall-molecule inhibitors of the Myc oncoproteinAtomistic picture for the folding pathway of a hybrid-1 type human telomeric DNA G-quadruplexExploring the universe of protein structures beyond the Protein Data BankEvidence for an allosteric mechanism of substrate release from membrane-transporter accessory binding proteinsThe Molecular Mechanism of Substrate Engagement and Immunosuppressant Inhibition of CalcineurinConstraint methods that accelerate free-energy simulations of biomoleculesAnalytical methods for structural ensembles and dynamics of intrinsically disordered proteinsThe impact of small molecule binding on the energy landscape of the intrinsically disordered protein C-mycP-loop conformation governed crizotinib resistance in G2032R-mutated ROS1 tyrosine kinase: clues from free energy landscapeSecondary Structure of Rat and Human Amylin across Force FieldsEnhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolinTowards a structural biology of the hydrophobic effect in protein foldingTwo-state dynamics of the SH3-SH2 tandem of Abl kinase and the allosteric role of the N-capStructural dissimilarity sampling with dynamically self-guiding selection.Integrating atomistic molecular dynamics simulations, experiments, and network analysis to study protein dynamics: strength in unity.Trends in template/fragment-free protein structure predictionDissociation of minor groove binders from DNA: insights from metadynamics simulations.Mechanism of action of cyclophilin a explored by metadynamics simulations.Gaussian-mixture umbrella sampling.Computational Recipe for Efficient Description of Large-Scale Conformational Changes in Biomolecular SystemsAmyloid β Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies.A self-learning algorithm for biased molecular dynamics.Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering.DNA Duplex Formation with a Coarse-Grained ModelMetadynamics simulations reveal a Na+ independent exiting path of galactose for the inward-facing conformation of vSGLTFree energy landscape and multiple folding pathways of an H-type RNA pseudoknot.Tuning the Attempt Frequency of Protein Folding Dynamics via Transition-State Rigidification: Application to Trp-Cage.An Exploration of the Universe of Polyglutamine Structures.Mapping the Protein Fold Universe Using the CamTube Force Field in Molecular Dynamics SimulationsDimerization of helical β-peptides in solution.A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.Achieving secondary structural resolution in kinetic measurements of protein folding: a case study of the folding mechanism of Trp-cage.Using Local States To Drive the Sampling of Global Conformations in Proteins.Mapping the Dynamics Landscape of Conformational Transitions in Enzyme: The Adenylate Kinase Case.Exploring Flexibility of Progesterone Receptor Ligand Binding Domain Using Molecular Dynamics.Multiple Simulated Annealing-Molecular Dynamics (MSA-MD) for Conformational Space Search of Peptide and Miniprotein.Recent theoretical and computational advances for modeling protein-ligand binding affinitiesExploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction.
P2860
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P2860
description
2007 nî lūn-bûn
@nan
2007 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
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
name
A bias-exchange approach to protein folding.
@ast
A bias-exchange approach to protein folding.
@en
A bias-exchange approach to protein folding.
@nl
type
label
A bias-exchange approach to protein folding.
@ast
A bias-exchange approach to protein folding.
@en
A bias-exchange approach to protein folding.
@nl
prefLabel
A bias-exchange approach to protein folding.
@ast
A bias-exchange approach to protein folding.
@en
A bias-exchange approach to protein folding.
@nl
P356
P1476
A bias-exchange approach to protein folding.
@en
P2093
Alessandro Laio
Stefano Piana
P304
P356
10.1021/JP067873L
P407
P577
2007-04-10T00:00:00Z