Reconstructing potential energy functions from simulated force-induced unbinding processes.
about
CHARMM: the biomolecular simulation programEffect of mutation at the interface of Trp-repressor dimeric protein: a steered molecular dynamics simulation.Free energy reconstruction from nonequilibrium single-molecule pulling experimentsKinetics from nonequilibrium single-molecule pulling experimentsA comparison of four different conformations adopted by human telomeric G-Quadruplex using Computer Simulations.Unfolding of titin immunoglobulin domains by steered molecular dynamics simulationMultiple-bond kinetics from single-molecule pulling experiments: evidence for multiple NCAM bonds.How force might activate talin's vinculin binding sites: SMD reveals a structural mechanism.Force-induced lysozyme--HyHEL5 antibody dissociation and its analysis by means of a cooperative binding model.Computational modeling of poly(alkylthiophene) conductive polymer insertion into phospholipid bilayers.Binding pathway of retinal to bacterio-opsin: a prediction by molecular dynamics simulations.Energetics of glycerol conduction through aquaglyceroporin GlpF.Steered molecular dynamics simulation of the Rieske subunit motion in the cytochrome bc(1) complex.Model energy landscapes and the force-induced dissociation of ligand-receptor bonds.Unbinding of retinoic acid from its receptor studied by steered molecular dynamicsForce spectroscopy with a small dithering of AFM tip: a method of direct and continuous measurement of the spring constant of single molecules and molecular complexes.Force history dependence of receptor-ligand dissociation.Protein high-force pulling simulations yield low-force results.Forced unfolding of the fibronectin type III module reveals a tensile molecular recognition switch.On the improvement of free-energy calculation from steered molecular dynamics simulations using adaptive stochastic perturbation protocols.Modeling, molecular dynamics, and docking assessment of transcription factor rho: a potential drug target in Brucella melitensis 16M.Communication: Does force spectroscopy of biomolecules probe their intrinsic dynamic properties?Comparison of the early stages of forced unfolding for fibronectin type III modules.Bayesian Uncertainty Quantification for Bond Energies and Mobilities Using Path Integral Analysis.Molecular dynamics: survey of methods for simulating the activity of proteins.The dissociation rate of the EcoRI-DNA-specific complex is linked to water activity.Dissecting DNA-histone interactions in the nucleosome by molecular dynamics simulations of DNA unwrapping.Acidity Constant (pKa ) Calculation of Large Solvated Dye Molecules: Evaluation of Two Advanced Molecular Dynamics Methods.Using stochastic models calibrated from nanosecond nonequilibrium simulations to approximate mesoscale information.Molecular dynamics simulations of duplex stretching reveal the importance of entropy in determining the biomechanical properties of DNA.Analyzing single-molecule manipulation experiments.Quantifying multiscale noise sources in single-molecule time series.Pulling-spring modulation as a method for improving the potential-of-mean-force reconstruction in single-molecule manipulation experiments.Interplay of non-Markov and internal friction effects in the barrier crossing kinetics of biopolymers: insights from an analytically solvable model.Computer simulations of the translocation and unfolding of a protein pulled mechanically through a pore.Simulation of the mechanical unfolding of ubiquitin: probing different unfolding reaction coordinates by changing the pulling geometry.Umbrella integration with higher-order correction terms.An algorithm to find minimum free-energy paths using umbrella integration.Perspective: Mechanochemistry of biological and synthetic molecules.Dynamic information for cardiotoxin protein desorption from a methyl-terminated self-assembled monolayer using steered molecular dynamics simulation.
P2860
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P2860
Reconstructing potential energy functions from simulated force-induced unbinding processes.
description
1997 nî lūn-bûn
@nan
1997 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
1997 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
1997年の論文
@ja
1997年論文
@yue
1997年論文
@zh-hant
1997年論文
@zh-hk
1997年論文
@zh-mo
1997年論文
@zh-tw
1997年论文
@wuu
name
Reconstructing potential energ ...... e-induced unbinding processes.
@ast
Reconstructing potential energ ...... e-induced unbinding processes.
@en
type
label
Reconstructing potential energ ...... e-induced unbinding processes.
@ast
Reconstructing potential energ ...... e-induced unbinding processes.
@en
prefLabel
Reconstructing potential energ ...... e-induced unbinding processes.
@ast
Reconstructing potential energ ...... e-induced unbinding processes.
@en
P2093
P2860
P1433
P1476
Reconstructing potential energ ...... e-induced unbinding processes.
@en
P2093
P2860
P304
P356
10.1016/S0006-3495(97)78161-X
P407
P577
1997-09-01T00:00:00Z