Conformational analysis and parallel QM/MM X-ray refinement of protein bound anti-Alzheimer drug donepezil.
about
Recent Progress in Treating Protein-Ligand Interactions with Quantum-Mechanical MethodsUsing quantum mechanical approaches to study biological systemsQ|R: quantum-based refinement.Understanding TRPV1 activation by ligands: Insights from the binding modes of capsaicin and resiniferatoxin.Conformational energy range of ligands in protein crystal structures: The difficult quest for accurate understanding.Quantum crystallography.Solving the scalability issue in quantum-based refinement: Q|R#1.
P2860
Q26747700-A5C12114-00FC-404D-8A30-8FD9C60D0A3CQ30841014-708ED4D4-AE98-4605-AD0B-149C040BE3F9Q36237656-3994D38B-08E1-4CA1-AB01-5C333788F7F2Q36483295-3826A038-26CE-4178-A3B4-5D4FE535D5B5Q38944603-972F1E8E-B48F-4A34-8B45-E1AE9C3A1A39Q41559159-C9890DBA-C520-40E2-8304-EC454DB80876Q47589581-DF415C3C-F9F1-4D57-854C-35AD0B5C93C0
P2860
Conformational analysis and parallel QM/MM X-ray refinement of protein bound anti-Alzheimer drug donepezil.
description
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name
Conformational analysis and pa ...... anti-Alzheimer drug donepezil.
@en
Conformational analysis and pa ...... anti-Alzheimer drug donepezil.
@nl
type
label
Conformational analysis and pa ...... anti-Alzheimer drug donepezil.
@en
Conformational analysis and pa ...... anti-Alzheimer drug donepezil.
@nl
prefLabel
Conformational analysis and pa ...... anti-Alzheimer drug donepezil.
@en
Conformational analysis and pa ...... anti-Alzheimer drug donepezil.
@nl
P2093
P2860
P356
P1476
Conformational analysis and pa ...... anti-Alzheimer drug donepezil.
@en
P2093
P2860
P304
P356
10.1021/CT300957X
P577
2013-02-18T00:00:00Z