Suchergebnisse - "Molecular Dynamics Simulation"

PubPharm (16.226)

61

Molecular mechanism underlying SNARE-mediated membrane fusion enlightened by all-atom molecular dynamics simulations

enthalten in: Proceedings of the National Academy of Sciences of the United States of America | 2024

von Rizo, J. | Sari, L. | Jaczynska, K. | +2

62

Illuminating ligand-induced dynamics in nuclear receptors through MD simulations

enthalten in: Biochimica et biophysica acta. Gene regulatory mechanisms | 2024

von Yu, T. | Sudhakar, N. | Okafor, C.

63

Key structural requirements of benzamide derivatives for histone deacetylase inhibition : design, synthesis and biological evaluation

enthalten in: Future medicinal chemistry | 2024

von Cheshmazar, N. | Hamzeh-Mivehroud, M. | Hemmati, S. | +7

64

Molecular dynamics simulation of the effect of temperature on the conformation of ubiquitin protein

enthalten in: Journal of molecular modeling | 2024

von Hu, J. | Song, S. | Yu, M. | +4

65

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.

66

Desulfurization and upgrade of pyrolytic oil and gas during waste tires pyrolysis : The role of metal oxides

enthalten in: Waste management (New York, N.Y.) | 2024

von Jiang, H. | Zhang, J. | Shao, J. | +7

67

Exploring cyclopropylamine containing cyanopyrimidines as LSD1 inhibitors : Design, synthesis, ADMET, MD analysis and anticancer activity profiling

enthalten in: Bioorganic chemistry | 2024

von Ahmad Sheikh, K. | Parveen, D. | Mumtaz Alam, M. | +9

68

Computational investigation of the inhibitory interaction of IRF3 and SARS-CoV-2 accessory protein ORF3b

enthalten in: Biochemical and biophysical research communications | 2024

von Bai, G. | Zeng, X. | Zhang, L. | +2

69

In silico study on graphene quantum dots modified with various functional groups inhibiting α‑synuclein dimerization

enthalten in: Journal of colloid and interface science | 2024

von Wu, X. | Wang, G. | Zhao, Z. | +1

70

Bioactive compounds from Ocimum tenuiflorum and Poria cocos : A novel natural Compound for insomnia treatment based on A computational approach

enthalten in: Computers in biology and medicine | 2024

von Ranteh, O. | Tedasen, A. | Rahman, M. | +2