Suchergebnisse - "Molecular Dynamics Simulation"

PubPharm (812)

1

Exploring Novel 1-Hydroxynaphthalene-2-Carboxanilides Based Inhibitors Against C-Jun N-Terminal Kinases Through Molecular Dynamic Simulation and WaterSwap Analysis

enthalten in: Applied biochemistry and biotechnology | 2024

von Jamal, S. | Ismail, S. | Yousaf, R. | +3

ErratumIn: Appl Biochem Biotechnol. 2023 Sep 16;:. - PMID 37715895

2

Uncovering PPAR-γ agonists : An integrated computational approach driven by machine learning

enthalten in: Journal of molecular graphics & modelling | 2024

von Haider, S. | Shafiq, M. | Siddiqui, A. | +6

3

An allosteric mechanism for potent inhibition of SARS-CoV-2 main proteinase

enthalten in: International journal of biological macromolecules | 2024

von Zhang, Y. | Guo, J. | Liu, Y. | +4

4

In silico exploration of phenolics as modulators of penicillin binding protein (PBP) 2× of Streptococcus pneumoniae

enthalten in: Scientific reports | 2024

von Aribisala, J. | S'thebe, N. | Sabiu, S.

5

Computational modelling and optimization studies of electropentamer for molecular imprinting of DJ-1

enthalten in: Journal of molecular graphics & modelling | 2024

von Dhinesh Kumar, M. | Karthikeyan, M. | Kaniraja, G. | +3

6

Molecular dynamics simulations and experimental investigation of viscosity of CuO-oil nanolubricant at different temperatures and volume fractions of nanoparticles

enthalten in: Journal of molecular graphics & modelling | 2024

von Bashiri, M. | Shojaeefard, M. | Qasemian, A.

7

Comparative assessment of different anti-CD147/Basigin 2 antibodies as a potential therapeutic anticancer target by molecular modeling and dynamic simulation

enthalten in: Molecular diversity | 2024

von Besli, N. | Bulut, H. | Onaran, �. | +2

8

Unraveling the Adsorption and Corrosion Resistance Mechanisms of Pyran-Pyrazole Analogs for Carbon Steel Corrosion in Hydrochloric Acid Based on Practical Approaches and Theoretical Calculations

enthalten in: Journal of bio- and tribo-corrosion | 2024

von Elfarhani, F. | Faydy, M. | Ouakki, M. | +7

9

Phytochemical identification and in silico elucidation of interactions of bioactive compounds from Citrullus lanatus with androgen receptor towards prostate cancer treatment

enthalten in: In Silico Pharmacology | 2024

von Demian, M. | Amasiorah, V. | Johnson, T. | +1

10

MS/MS-based molecular networking discovery of sesquiterpenes from Carpesium abrotanoides L. with their cytotoxic and acetylcholinesterase inhibitory activity

enthalten in: Fitoterapia | 2024

von Zhang, X. | Han, M. | Han, X. | +6

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