Critical assessment of quantum mechanics based energy restraints in protein crystal structure refinement
about
New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MMUsing the fragment molecular orbital method to investigate agonist-orexin-2 receptor interactionsTrends in template/fragment-free protein structure predictionStructure refinement of protein low resolution models using the GNEIMO constrained dynamics method.Using quantum mechanical approaches to study biological systemsQ|R: quantum-based refinement.QM/MM X-ray refinement of zinc metalloenzymes.QM/MM refinement and analysis of protein bound retinoic acid.Quantum crystallography.Conformational Analysis of Free and Bound Retinoic Acid.Conformational variability of benzamidinium-based inhibitorsConformational analysis and parallel QM/MM X-ray refinement of protein bound anti-Alzheimer drug donepezil.Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method.Solving the scalability issue in quantum-based refinement: Q|R#1.
P2860
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P2860
Critical assessment of quantum mechanics based energy restraints in protein crystal structure refinement
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
2006年學術文章
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2006年學術文章
@zh-hant
name
Critical assessment of quantum ...... n crystal structure refinement
@ast
Critical assessment of quantum ...... n crystal structure refinement
@en
type
label
Critical assessment of quantum ...... n crystal structure refinement
@ast
Critical assessment of quantum ...... n crystal structure refinement
@en
prefLabel
Critical assessment of quantum ...... n crystal structure refinement
@ast
Critical assessment of quantum ...... n crystal structure refinement
@en
P2093
P2860
P356
P1433
P1476
Critical assessment of quantum ...... n crystal structure refinement
@en
P2093
Guanglei Cui
Kenneth M Merz
Seth A Hayik
P2860
P304
P356
10.1110/PS.062343206
P577
2006-12-01T00:00:00Z