An NMA-guided path planning approach for computing large-amplitude conformational changes in proteins.
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Rapid sampling of molecular motions with prior information constraintsLigand Docking to Intermediate and Close-To-Bound Conformers Generated by an Elastic Network Model Based Algorithm for Highly Flexible ProteinsDamped-dynamics flexible fitting.Generation, comparison, and merging of pathways between protein conformations: gating in K-channels.Computation of conformational transitions in proteins by virtual atom molecular mechanics as validated in application to adenylate kinase.A force field for virtual atom molecular mechanics of proteinsIterative cluster-NMA: A tool for generating conformational transitions in proteins.Modeling protein conformational transitions by a combination of coarse-grained normal mode analysis and robotics-inspired methods.ClustENM: ENM-Based Sampling of Essential Conformational Space at Full Atomic Resolution.Tracing conformational changes in proteins.Instantaneous normal modes as an unforced reaction coordinate for protein conformational transitionsSIMS: a hybrid method for rapid conformational analysis.Elucidating the ensemble of functionally-relevant transitions in protein systems with a robotics-inspired method.Insights into mechanism kinematics for protein motion simulation.Evolutionary Conserved Positions Define Protein Conformational DiversityComputing energy landscape maps and structural excursions of proteinsPrinciples of flexible protein-protein dockingMoMA-LigPath: a web server to simulate protein-ligand unbinding.Thumb-loops up for catalysis: a structure/function investigation of a functional loop movement in a GH11 xylanase.Enhanced conformational sampling technique provides an energy landscape view of large-scale protein conformational transitions.Features of large hinge-bending conformational transitions. Prediction of closed structure from open state.Protein folding pathways and state transitions described by classical equations of motion of an elastic network model.Elastic network model of learned maintained contacts to predict protein motion.Molecular dynamics studies on the conformational transitions of adenylate kinase: a computational evidence for the conformational selection mechanism.Frustration-guided motion planning reveals conformational transitions in proteins.Protein flexibility and conformational states of Leishmania antigen eIF-4A: identification of a novel plausible protein adjuvant using comparative genomics and molecular modeling.Collision-free poisson motion planning in ultra high-dimensional molecular conformation spaces.Flexible protein docking refinement using pose-dependent normal mode analysis.Randomized tree construction algorithm to explore energy landscapes.A mixed molecular modeling-robotics approach to investigate lipase large molecular motions.A method for predicting protein conformational pathways by using molecular dynamics simulations guided by difference distance matrices.Sampling large conformational transitions: adenylate kinase as a testing groundModeling Structures and Motions of Loops in Protein Molecules
P2860
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P2860
An NMA-guided path planning approach for computing large-amplitude conformational changes in proteins.
description
2008 nî lūn-bûn
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2008年の論文
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2008年学术文章
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2008年学术文章
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2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
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2008年学术文章
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2008年學術文章
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2008年學術文章
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name
An NMA-guided path planning ap ...... rmational changes in proteins.
@en
An NMA-guided path planning ap ...... rmational changes in proteins.
@nl
type
label
An NMA-guided path planning ap ...... rmational changes in proteins.
@en
An NMA-guided path planning ap ...... rmational changes in proteins.
@nl
prefLabel
An NMA-guided path planning ap ...... rmational changes in proteins.
@en
An NMA-guided path planning ap ...... rmational changes in proteins.
@nl
P2093
P356
P1433
P1476
An NMA-guided path planning ap ...... rmational changes in proteins.
@en
P2093
Alin Stefaniu
Juan Cortés
Svetlana Kirillova
Thierry Siméon
P304
P356
10.1002/PROT.21570
P407
P577
2008-01-01T00:00:00Z