Suchergebnisse - "molecular modeling"

PubPharm (209)

1

Missense variants in phospholamban and cardiac myosin binding protein identified in patients with a family history and clinical diagnosis of dilated cardiomyopathy

enthalten in: Biochimica et biophysica acta. Molecular cell research | 2024

von Armanious, G. | Lemieux, M. | Espinoza-Fonseca, L. | +1

2

Identification of novel potential cathepsin-B inhibitors through pharmacophore-based virtual screening, molecular docking, and dynamics simulation studies for the treatment of Alzheimer's disease

enthalten in: Molecular diversity | 2024

von Jangra, J. | Bajad, N. | Singh, R. | +2

3

Recent developments in molecular modeling tools and applications related to pharmaceutical and biomedical research

enthalten in: Journal of pharmaceutical and biomedical analysis | 2024

von Peluso, P. | Chankvetadze, B.

4

Pharmacophore modeling, molecular docking, and molecular dynamics studies to identify new 5-HT2AR antagonists with the potential for design of new atypical antipsychotics

enthalten in: Molecular diversity | 2023

von Martins, A. | de Campos, L. | Conda-Sheridan, M. | +1

5

Molecular simulation on compatibility and mechanisms of SBS and PTW polymer modifiers in asphalt binder

enthalten in: Journal of molecular modeling | 2023

von Xie, X. | Wang, K. | Bao, M. | +4

6

Study of the dynamic behavior of the cruzain enzyme in free and complexed forms with competitive and noncovalent benzimidazole inhibitors

enthalten in: Journal of biomolecular structure & dynamics | 2023

von Reis, C. | Souza, H. | Leme, R. | +5

7

Curse and Blessing of Non-Proteinogenic Parts in Computational Enzyme Engineering

enthalten in: Chembiochem : a European journal of chemical biology | 2023

von Korbeld, K. | Fürst, M.

8

Modelling and Simulations of Extracellular Glycoproteins

enthalten in: Methods in molecular biology (Clifton, N.J.) | 2023

von Rao, R. | Belloy, N. | Crowet, J. | +2

9

Pharmacophore modeling, molecular docking, and molecular dynamics studies to identify new 5-$ HT_{2A} $R antagonists with the potential for design of new atypical antipsychotics

enthalten in: Molecular diversity | 2022

von Martins, A. | de Campos, L. | Conda-Sheridan, M. | +1

10

Novel Azine Linked Hybrids of 2-Indolinone and Thiazolodinone Scaffolds as CDK2 Inhibitors with Potential Anticancer Activity : In Silico Design, Synthesis, Biological, Molecular Dynamics and Binding Free Energy Studies

enthalten in: Bioorganic chemistry | 2022

von Qayed, W. | Hassan, M. | El-Sayed, W. | +2

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