Constant pH Molecular Dynamics Reveals pH-Modulated Binding of Two Small-Molecule BACE1 Inhibitors.
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All-Atom Molecular Dynamics of Virus Capsids as Drug TargetsFactors Influencing the Potency of Alzheimer Inhibitors: Computational and Docking Studies.Proton-Coupled Conformational Allostery Modulates the Inhibitor Selectivity for β-Secretase.Conformational dynamics of cathepsin D and binding to a small-molecule BACE1 inhibitor.Computational investigation of proton transfer, pKa shifts and pH-optimum of protein-DNA and protein-RNA complexes.Mechanisms of peptide hydrolysis by aspartyl and metalloproteases.Assessment of a Single Decoupling Alchemical Approach for the Calculation of the Absolute Binding Free Energies of Protein-Peptide Complexes.
P2860
Q28833669-CC80E4A8-E19F-464D-A9C1-39BC0151DAD8Q47208919-6C7C9026-99DD-4FD3-BD9A-B88D78E37B0DQ48053583-269AA76C-D51C-4644-998D-2D61D3E707E8Q48333250-649D53AE-B454-4D67-88ED-52D8B7FADE91Q51276073-52E6C6D2-CD3C-4EBC-B085-45F136E00C42Q51423259-98026A9F-58E4-4DEC-BE86-1DF7B42BAA1BQ52345277-8D2FE157-89A4-4AC4-8BE0-A68B30D561F2
P2860
Constant pH Molecular Dynamics Reveals pH-Modulated Binding of Two Small-Molecule BACE1 Inhibitors.
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2016 nî lūn-bûn
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2016年の論文
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2016年学术文章
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2016年学术文章
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name
Constant pH Molecular Dynamics ...... all-Molecule BACE1 Inhibitors.
@en
Constant pH Molecular Dynamics ...... all-Molecule BACE1 Inhibitors.
@nl
type
label
Constant pH Molecular Dynamics ...... all-Molecule BACE1 Inhibitors.
@en
Constant pH Molecular Dynamics ...... all-Molecule BACE1 Inhibitors.
@nl
prefLabel
Constant pH Molecular Dynamics ...... all-Molecule BACE1 Inhibitors.
@en
Constant pH Molecular Dynamics ...... all-Molecule BACE1 Inhibitors.
@nl
P2093
P2860
P1476
Constant pH Molecular Dynamics ...... mall-Molecule BACE1 Inhibitors
@en
P2093
Christopher R Ellis
Xinjun Hou
P2860
P304
P356
10.1021/ACS.JPCLETT.6B00137
P577
2016-02-25T00:00:00Z