Analysis and elimination of a bias in targeted molecular dynamics simulations of conformational transitions: application to calmodulin.
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Revealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics SimulationsPrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsAllosteric activation transitions in enzymes and biomolecular motors: insights from atomistic and coarse-grained simulationsPath Similarity Analysis: A Method for Quantifying Macromolecular PathwaysStructural dissimilarity sampling with dynamically self-guiding selection.An Acrobatic Substrate Metamorphosis Reveals a Requirement for Substrate Conformational Dynamics in Trypsin Proteolysis.Investigations of α-helix↔β-sheet transition pathways in a miniprotein using the finite-temperature string methodConformational Transition Pathways of Epidermal Growth Factor Receptor Kinase Domain from Multiple Molecular Dynamics Simulations and Bayesian Clustering.Frequency response of a protein to local conformational perturbations.Mapping the gating and permeation pathways in the voltage-gated proton channel Hv1.Interaction of antibacterial compounds with RND efflux pumps in Pseudomonas aeruginosaAlternative pathways for association and dissociation of the calmodulin-binding domain of plasma membrane Ca(2+)-ATPase isoform 4b (PMCA4b).A simplified confinement method for calculating absolute free energies and free energy and entropy differences.Influence of Secondary-Structure Folding on the Mutually Exclusive Folding Process of GL5/I27 Protein: Evidence from Molecular Dynamics Simulations.All-atom and coarse-grained simulations of the forced unfolding pathways of the SNARE complex.Unrestrained computation of free energy along a path.Computational study of correlated domain motions in the AcrB efflux transporter.The dynamics of interconverting D- and E-forms of the HIV-1 integrase N-terminal domain.Molecular insight into conformational transmission of human P-glycoprotein.Minimum action transition paths connecting minima on an energy surface.Electric-Field-Induced Protein Translocation via a Conformational Transition in SecDF: An MD Study.Computation of Hemagglutinin Free Energy Difference by the Confinement Method.Deciphering Intrinsic Inter-subunit Couplings that Lead to Sequential Hydrolysis of F1-ATPase Ring.Molecular dynamics simulations on the conformational transitions from the GA 98 (GA 88) to GB 98 (GB 88) proteins.Energetics and conformational pathways of functional rotation in the multidrug transporter AcrB.Description of LAT1 Transport Mechanism at an Atomistic Level
P2860
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P2860
Analysis and elimination of a bias in targeted molecular dynamics simulations of conformational transitions: application to calmodulin.
description
2012 nî lūn-bûn
@nan
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
2012年论文
@zh
2012年论文
@zh-cn
name
Analysis and elimination of a ...... ns: application to calmodulin.
@ast
Analysis and elimination of a ...... ns: application to calmodulin.
@en
type
label
Analysis and elimination of a ...... ns: application to calmodulin.
@ast
Analysis and elimination of a ...... ns: application to calmodulin.
@en
prefLabel
Analysis and elimination of a ...... ns: application to calmodulin.
@ast
Analysis and elimination of a ...... ns: application to calmodulin.
@en
P2860
P356
P1476
Analysis and elimination of a ...... ns: application to calmodulin.
@en
P2093
Victor Ovchinnikov
P2860
P304
P356
10.1021/JP212634Z
P407
P577
2012-03-28T00:00:00Z