Exploring the free-energy landscapes of biological systems with steered molecular dynamics.
about
Revealing the binding modes and the unbinding of 14-3-3σ proteins and inhibitors by computational methods.Aspheric Solute Ions Modulate Gold Nanoparticle Interactions in an Aqueous Solution: An Optimal Way To Reversibly Concentrate Functionalized Nanoparticles1,3-Propanediol binds inside the water-conducting pore of aquaporin 4: Does this efficacious inhibitor have sufficient potency?Glycerol modulates water permeation through Escherichia coli aquaglyceroporin GlpFInsights into the mechanisms of the selectivity filter of Escherichia coli aquaporin Z.Interaction between functionalized gold nanoparticles in physiological saline.Insights into Ligand-Protein Binding from Local Mechanical Response.Mercury inhibits the L170C mutant of aquaporin Z by making waters clog the water channel.Molecular dynamics study of human carbonic anhydrase II in complex with Zn(2+) and acetazolamide on the basis of all-atom force field simulationsHybrid Steered Molecular Dynamics Approach to Computing Absolute Binding Free Energy of Ligand-Protein Complexes: A Brute Force Approach That Is Fast and Accurate.Computing Protein-Protein Association Affinity with Hybrid Steered Molecular DynamicsErythritol predicted to inhibit permeation of water and solutes through the conducting pore of P. falciparum aquaporin.Glycerol inhibits water permeation through Plasmodium falciparum aquaglyceroporin.Computing membrane-AQP5-phosphatidylserine binding affinities with hybrid steered molecular dynamics approach.Molecular dynamics simulations of wild type and mutants of human complement receptor 2 complexed with C3d.Force probe simulations using a hybrid scheme with virtual sites.Characterizing the Free-Energy Landscape of MDM2 Protein-Ligand Interactions by Steered Molecular Dynamics Simulations.Calculating diffusion and permeability coefficients with the oscillating forward-reverse method.
P2860
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P2860
Exploring the free-energy landscapes of biological systems with steered molecular dynamics.
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
2011年论文
@zh
2011年论文
@zh-cn
name
Exploring the free-energy land ...... th steered molecular dynamics.
@en
type
label
Exploring the free-energy land ...... th steered molecular dynamics.
@en
prefLabel
Exploring the free-energy land ...... th steered molecular dynamics.
@en
P2860
P356
P1476
Exploring the free-energy land ...... ith steered molecular dynamics
@en
P2860
P304
P356
10.1039/C0CP02799E
P407
P50
P577
2011-02-25T00:00:00Z