Steered molecular dynamics investigations of protein function. (Q30328260)

18 June 2017

Steered molecular dynamics investigations of protein function. (English)

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molecular dynamics simulation

18 June 2017

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author name string

Isralewitz B

1

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18 June 2017

Baudry J

2

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18 June 2017

Gullingsrud J

3

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18 June 2017

Kosztin D

4

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18 June 2017

Schulten K

5

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18 June 2017

1 January 2001

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Journal of Molecular Graphics & Modelling

18 June 2017

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18 June 2017

19

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18 June 2017

1

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18 June 2017

13-25

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18 June 2017

Atomic force microscope

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Unfolding of titin immunoglobulin domains by steered molecular dynamics simulation

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Forced unfolding of the fibronectin type III module reveals a tensile molecular recognition switch

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Steered molecular dynamics simulations of force-induced protein domain unfolding

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Ligand binding: molecular mechanics calculation of the streptavidin-biotin rupture force

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Forced unfolding of fibronectin type 3 modules: an analysis by biased molecular dynamics simulations

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Theory of protein folding: the energy landscape perspective

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Simulations of protein folding and unfolding

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Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution

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Pathways for protein folding: is a new view needed?

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From Levinthal to pathways to funnels

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Molecular dynamics simulations of the unfolding of barnase in water and 8 M aqueous urea

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Role of non-native aromatic and hydrophobic interactions in the folding of hen egg white lysozyme.

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Computational approaches to study protein unfolding: hen egg white lysozyme as a case study

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Theoretical studies of protein folding and unfolding

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Reversible unfolding of individual titin immunoglobulin domains by AFM

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Folding-unfolding transitions in single titin molecules characterized with laser tweezers.

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Elasticity and unfolding of single molecules of the giant muscle protein titin

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The molecular elasticity of the extracellular matrix protein tenascin.

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The mechanical stability of immunoglobulin and fibronectin III domains in the muscle protein titin measured by atomic force microscopy

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Connectin/titin, giant elastic protein of muscle.

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Single molecule force spectroscopy of spectrin repeats: low unfolding forces in helix bundles

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Unraveling proteins: a molecular mechanics study

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Stretching lattice models of protein folding

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Crystal structures of the free and liganded form of an esterolytic catalytic antibody

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Structural insights into the evolution of an antibody combining site

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VMD: visual molecular dynamics

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Free energy simulations of the HyHEL-10/HEL antibody-antigen complex

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Reconstructing Potentials of Mean Force through Time Series Analysis of Steered Molecular Dynamics Simulations

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Nonequilibrium Equality for Free Energy Differences

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Equilibrium free-energy differences from nonequilibrium measurements: A master-equation approach

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Reconstructing potential energy functions from simulated force-induced unbinding processes

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Mechanical unfolding intermediates in titin modules.

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Protein domain movements: detection of rigid domains and visualization of hinges in comparisons of atomic coordinates.

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Fluctuations and Irreversible Processes

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

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Identifiers

DOI

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18 June 2017

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