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topic_facet:"Molecular dynamics simulation"
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PubPharm (718)
1
A Multi-epitope Vaccine Candidate Against Bolivian Hemorrhagic fever Caused by Machupo Virus
enthalten in:
Applied biochemistry and biotechnology
| 2024
von
Ali, Z.
|
Cardoza, J.
|
Basak, S.
| +7
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2
A Comprehensive Study to Unleash the Putative Inhibitors of Serotype2 of Dengue Virus : Insights from an In Silico Structure-Based Drug Discovery
enthalten in:
Molecular biotechnology
| 2024
von
Halder, S.
|
Ahmad, I.
|
Shathi, J.
| +9
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3
Proposed molecular mechanism of non-competitive inhibition using molecular dynamics simulations between α-glucosidase enzyme and mangostin compound as antidiabetic
enthalten in:
Journal of molecular modeling
| 2024
von
Maulana, A.
|
Maksum, I.
|
Sriwidodo, S.
| +1
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4
Proposed molecular mechanism of non-competitive inhibition using molecular dynamics simulations between α-glucosidase enzyme and mangostin compound as antidiabetic
enthalten in:
Journal of molecular modeling
| 2024
von
Maulana, A.
|
Maksum, I.
|
Sriwidodo, S.
| +1
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5
Abatement of the binding of human hexokinase II enzyme monomers by in-silico method with the design of inhibitory peptides
enthalten in:
In Silico Pharmacology
| 2024
von
Karamifard, F.
|
Mazaheri, M.
|
Dadbinpour, A.
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6
Novel Antimicrobial Peptide SAAP Mutant as a Better Adjuvant to Sulbactam-Based Treatments Against Clinical Strains of XDR Acinetobacter baumannii
enthalten in:
Probiotics and antimicrobial proteins
| 2024
von
Naha, A.
|
Ramaiah, S.
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7
Structural and biochemical characterization of active sites mutant in human inorganic pyrophosphatase
enthalten in:
Biochimica et biophysica acta. General subjects
| 2024
von
Zheng, S.
|
Zheng, C.
|
Chen, S.
| +9
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8
In silico study to identify novel NEK7 inhibitors from natural sources by a combination strategy
enthalten in:
Molecular diversity
| 2024
von
Zhang, H.
|
Lu, C.
|
Yao, Q.
| +1
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9
Deciphering the mechanisms and interactions of the endocrine disruptor bisphenol A and its analogs with the androgen receptor
enthalten in:
Journal of hazardous materials
| 2024
von
Pathak, R.
|
Jung, D.
|
Shin, S.
| +3
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10
Prognostic Model Construction of Disulfidptosis-Related Genes and Targeted Anticancer Drug Research in Pancreatic Cancer
enthalten in:
Molecular biotechnology
| 2024
von
Duan, H.
|
Gao, L.
|
Asikaer, A.
| +3
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Thema: Molecular dynamics simulation
Medienart
718
Aufsätze
630
E-Artikel
630
E-Ressourcen
88
Gedruckte Aufsätze
Zeitschriftentitel
89
Journal of molecular modeling
32
Computational biology and chemistry
32
Molecular diversity
31
Journal of molecular graphics & modelling
21
Medicinal chemistry research
19
Journal of computer aided molecular design
17
Computers in biology and medicine
17
Journal of bioenergetics and biomembranes
16
International journal of biological macromolecules
16
Structural chemistry
15
3 Biotech
15
Heliyon
14
Applied biochemistry and biotechnology
12
Molecular and cellular biochemistry
12
PeerJ
10
Arabian Journal of Chemistry
10
Bioorganic chemistry
9
Informatics in Medicine Unlocked
9
Journal of inclusion phenomena and macrocyclic ...
8
International journal of peptide research and t...
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Thema
Molecular dynamics simulation
690
Molecular docking
328
Journal Article
71
Research Support, Non-U.S. Gov't
63
Virtual screening
49
Homology modeling
42
COVID-19
40
Ligands
32
SARS-CoV-2
30
3D-QSAR
25
ADMET
23
Network pharmacology
20
Enzyme Inhibitors
19
Chemistry
18
Antiviral Agents
16
Anti-Bacterial Agents
16
Antineoplastic Agents
15
Binding free energy
15
Photoaging
14
Alzheimer’s disease
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Erscheinungszeitraum
433
2020-
283
2010-2019
2
2000-2009
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711
Englisch
7
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