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PubPharm (36)
1
Upgrading nirmatrelvir to inhibit SARS-CoV-2 Mpro via DeepFrag and free energy calculations
enthalten in:
Journal of molecular graphics & modelling
| 2023
von
Tam, N.
|
Nguyen, T.
|
Pham, M.
| +5
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2
Morphology of a Transmembrane Aβ42 Tetramer via REMD Simulations
enthalten in:
Journal of chemical information and modeling
| 2023
von
Ngo, S.
|
Nguyen, T.
|
Vu, V.
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3
Distal Hydrophobic Loop Modulates the Copper Active Site and Reaction of AA13 Polysaccharide Monooxygenases
enthalten in:
The journal of physical chemistry. B
| 2022
von
Ngo, S.
|
Phan, H.
|
Luu, C.
| +9
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4
Searching for AChE inhibitors from natural compounds by using machine learning and atomistic simulations
enthalten in:
Journal of molecular graphics & modelling
| 2022
von
Thai, Q.
|
Pham, T.
|
Hiep, D.
| +4
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5
Improving ligand-ranking of AutoDock Vina by changing the empirical parameters
enthalten in:
Journal of computational chemistry
| 2022
von
Pham, T.
|
Nguyen, T.
|
Tam, N.
| +8
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6
Benchmark of Popular Free Energy Approaches Revealing the Inhibitors Binding to SARS-CoV-2 Mpro
enthalten in:
Journal of chemical information and modeling
| 2021
von
Ngo, S.
|
Tam, N.
|
Pham, M.
| +1
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7
Impact of the Rat R5G, Y10F, and H13R Mutations on Tetrameric Aβ42 β-Barrel in a Lipid Bilayer Membrane Model
enthalten in:
The journal of physical chemistry. B
| 2021
von
Ngo, S.
|
Nguyen, P.
|
Derreumaux, P.
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8
Cholesterol Molecules Alter the Energy Landscape of Small Aβ1-42 Oligomers
enthalten in:
The journal of physical chemistry. B
| 2021
von
Ngo, S.
|
Nguyen, P.
|
Derreumaux, P.
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9
Computational investigation of possible inhibitors of the winged-helix domain of MUS81
enthalten in:
Journal of molecular graphics & modelling
| 2021
von
Ngo, S.
|
Vu, V.
|
Phung, H.
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10
Amyloid Oligomers : A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis
enthalten in:
Chemical reviews
| 2021
von
Nguyen, P.
|
Ramamoorthy, A.
|
Sahoo, B.
| +31
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Thema: Research Support, Non-U.S. Gov't
Medienart
36
Aufsätze
36
E-Artikel
36
E-Ressourcen
Zeitschriftentitel
12
The journal of physical chemistry. B
7
Journal of molecular graphics & modelling
5
Journal of chemical information and modeling
4
Journal of computational chemistry
2
PloS one
1
ACS chemical neuroscience
1
Biochimica et biophysica acta
1
Biophysical chemistry
1
Chemical biology & drug design
1
Chemical reviews
1
The Journal of biological chemistry
Alle anzeigen ...
weniger ...
Thema
36
Journal Article
Research Support, Non-U.S. Gov't
18
Amyloid beta-Peptides
14
Peptide Fragments
7
Lipid Bilayers
5
Ligands
5
amyloid beta-protein (1-40)
4
1,2-Dipalmitoylphosphatidylcholine
4
2644-64-6
4
amyloid beta-protein (1-42)
3
Amyloid
3
EC 1.-
3
Mixed Function Oxygenases
3
binding free energy
2
789U1901C5
2
8R1V1STN48
2
9005-25-8
2
Acetylcholinesterase
2
Antiviral Agents
2
BQM438CTEL
Alle anzeigen ...
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Erscheinungszeitraum
17
2020-
19
2010-2019
Erscheinungsjahr(e)
Von:
Bis:
Sprache
36
Englisch
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