Computing Protein-Protein Association Affinity with Hybrid Steered Molecular Dynamics
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1,3-Propanediol binds inside the water-conducting pore of aquaporin 4: Does this efficacious inhibitor have sufficient potency?Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculationsElongation affinity, activation barrier, and stability of Aβ42 oligomers/fibrils in physiological saline.1,3-propanediol binds deep inside the channel to inhibit water permeation through aquaporins.Molecular dynamics study of human carbonic anhydrase II in complex with Zn(2+) and acetazolamide on the basis of all-atom force field simulationsMolecular dynamics simulations on the effect of size and shape on the interactions between negative Au18(SR)14, Au102(SR)44 and Au144(SR)60 nanoparticles in physiological saline.On the mechanisms of protein interactions: predicting their affinity from unbound tertiary structures.Simulation of Reversible Protein-Protein Binding and Calculation of Binding Free Energies Using Perturbed Distance Restraints.Affinity and path of binding xylopyranose unto E. coli xylose permease.Computing the binding affinity of a ligand buried deep inside a protein with the hybrid steered molecular dynamics.
P2860
Q36917090-40E3029A-B4CD-4674-96FE-CB2A53180960Q37241943-F5DE40C4-C7A0-45D0-82F1-3C1459071DC7Q38827961-82D656EB-9BAE-441E-8EF9-FA53761573A9Q39722915-360D9DEE-49DD-4629-B714-574DE6444073Q39731555-4AEE9173-D345-4072-B0D6-2D37A1AF62CDQ42577895-E25DB7D7-6460-40ED-A99E-F2AEF41CED17Q42696259-4388C542-9EC4-4147-8AE6-5506648D37BFQ47094724-3EFDA073-8E44-404B-8D16-0475C765246FQ47652246-7A74BBDC-2E6E-4171-BA5F-88106DE3F3CFQ51227911-D23D5C65-2861-4C7A-B299-749D0E38E1C0
P2860
Computing Protein-Protein Association Affinity with Hybrid Steered Molecular Dynamics
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Computing Protein-Protein Association Affinity with Hybrid Steered Molecular Dynamics
@en
type
label
Computing Protein-Protein Association Affinity with Hybrid Steered Molecular Dynamics
@en
prefLabel
Computing Protein-Protein Association Affinity with Hybrid Steered Molecular Dynamics
@en
P2860
P356
P1476
Computing Protein-Protein Association Affinity with Hybrid Steered Molecular Dynamics
@en
P2093
P2860
P304
P356
10.1021/ACS.JCTC.5B00340
P577
2015-01-01T00:00:00Z