Suchergebnisse - "molecular modeling"

PubPharm (9.166)

31

3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity

enthalten in: Journal of biomolecular structure & dynamics | 2024

von El-Mernissi, R. | Khaldan, A. | Bouamrane, S. | +5

32

Bioisosteric replacement strategy leads to novel DNA gyrase B inhibitors with improved potencies and properties

enthalten in: Bioorganic chemistry | 2024

von Xue, W. | Zuo, X. | Zhao, X. | +5

33

Modulation of endogenous opioid signaling by inhibitors of puromycin sensitive aminopeptidase

enthalten in: bioRxiv : the preprint server for biology | 2024

von Singh, R. | Jiang, R. | Williams, J. | +6

34

The emergence of machine learning force fields in drug design

enthalten in: Medicinal research reviews | 2024

von Chen, M. | Jiang, X. | Zhang, L. | +5

35

Systematic profiling of Taxol resistance and sensitivity to tubulin missence mutations at molecular and cellular levels

enthalten in: Chemical biology & drug design | 2024

von Zhou, L. | Ding, X. | Cao, J. | +6

36

Biocompatible hydrophobic cross-linked cyclodextrin-based metal-organic framework as quercetin nanocarrier for enhancing stability and controlled release

enthalten in: Food chemistry | 2024

von Zhao, R. | Chen, T. | Li, Y. | +8

37

Ground and excited state charge transfer at aqueous nanodiamonds

enthalten in: Journal of computational chemistry | 2024

von Kirschbaum, T. | Wang, X. | Bande, A.

38

Computational Modeling and Characterization of Peptides Derived from Nanobody Complementary-Determining Region 2 (CDR2) Targeting Active-State Conformation of the β2-Adrenergic Receptor (β2AR)

enthalten in: Biomolecules | 2024

von Sencanski, M. | Glisic, S. | Kubale, V. | +3

39

Coumarin linked to 2-phenylbenzimidazole derivatives as potent α-glucosidase inhibitors

enthalten in: Scientific reports | 2024

von Ganjeh, M. | Mazlomifar, A. | Shahvelayti, A. | +1

40

Predicting ion mobility collision cross sections and assessing prediction variation by combining conventional and data driven modeling

enthalten in: Talanta | 2024

von Bouwmeester, R. | Richardson, K. | Denny, R. | +4