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topic_facet:"molecular dynamics simulation"
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/vufind/Search/Results?lookfor=%22Shamsi%2C+Anas%22&type=Person&filter%5B%5D=topic_facet%3A%22molecular+dynamics+simulation%22
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PubPharm (14)
1
Structure-guided identification of potent inhibitors of ROS1 kinase for therapeutic development against non-small cell lung cancer
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Khan, M.
|
Altwaijry, N.
|
Al-Bagmi, M.
| +4
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2
Evaluation of binding mechanism of dietary phytochemical, capsaicin, with human transferrin : targeting neurodegenerative diseases therapeutics
enthalten in:
Frontiers in pharmacology
| 2024
von
Alrouji, M.
|
Alhumaydhi, F.
|
Venkatesan, K.
| +3
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3
Identification of mitogen-activated protein kinase 7 inhibitors from natural products : Combined virtual screening and dynamic simulation studies
enthalten in:
Journal of molecular recognition : JMR
| 2024
von
Alharbi, B.
|
Alnajjar, L.
|
Alhassan, H.
| +7
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4
Role of lisinopril in the therapeutic management of cardiovascular disease by targeting microtubule affinity regulating kinase 4 : molecular docking and molecular dynamics simulation approaches
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Atiya, A.
|
Alsayari, A.
|
Bin Muhsinah, A.
| +8
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5
Computational insight into the binding of bryostatin 1 with ferritin : implication of natural compounds in Alzheimer's disease therapeutics
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Shahwan, M.
|
Alhumaydhi, F.
|
Sharaf, S.
| +5
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6
Mechanistic insights into MARK4 inhibition by galantamine toward therapeutic targeting of Alzheimer's disease
enthalten in:
Frontiers in pharmacology
| 2023
von
Adnan, M.
|
DasGupta, D.
|
Anwar, S.
| +6
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7
A computational study on active constituents of Habb-ul-aas and Tabasheer as inhibitors of SARS-CoV-2 main protease
enthalten in:
Journal of biomolecular structure & dynamics
| 2022
von
Shamsi, S.
|
Anjum, H.
|
Shahbaaz, M.
| +10
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8
Mechanistic Insight into the Enzymatic Inhibition of β-Amyrin against Mycobacterial Rv1636 : In Silico and In Vitro Approaches
enthalten in:
Biology
| 2022
von
Beg, M.
|
Sadaf
|
Shamsi, A.
| +7
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9
Myricetin inhibits breast and lung cancer cells proliferation via inhibiting MARK4
enthalten in:
Journal of cellular biochemistry
| 2022
von
Anwar, S.
|
Khan, S.
|
Anjum, F.
| +6
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10
Mechanistic Insight into Binding of Huperzine A with Human Serum Albumin : Computational and Spectroscopic Approaches
enthalten in:
Molecules (Basel, Switzerland)
| 2022
von
Shamsi, A.
|
Shahwan, M.
|
Khan, M.
| +5
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Thema: molecular dynamics simulation
Medienart
14
Aufsätze
14
E-Artikel
14
E-Ressourcen
Zeitschriftentitel
4
Journal of biomolecular structure & dynamics
2
Frontiers in pharmacology
2
International journal of molecular sciences
2
Journal of cellular biochemistry
1
Biology
1
Biomedicines
1
Journal of molecular recognition : JMR
1
Molecules (Basel, Switzerland)
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weniger ...
Thema
14
Journal Article
molecular dynamics simulation
5
Protein Kinase Inhibitors
4
EC 2.7.11.1
4
Protein Serine-Threonine Kinases
4
Research Support, Non-U.S. Gov't
4
molecular docking
3
EC 2.7.1.-
3
MARK4 protein, human
3
drug discovery
3
isothermal titration calorimetry
3
kinase inhibitor
3
kinase inhibitors
2
Alzheimer’s disease
2
Biological Products
2
drug design and discovery
2
fluorescence spectroscopy
2
natural compounds
2
neurodegenerative diseases
2
virtual screening
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weniger ...
Erscheinungszeitraum
3
2024
3
2023
4
2022
2
2021
2
2020
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Erscheinungsjahr(e)
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Sprache
14
Englisch
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