Suchergebnisse - "MM-PBSA"

PubPharm (888)

1

In silico investigation of potential phytoconstituents against ligand- and voltage-gated ion channels as antiepileptic agents

enthalten in: 3 Biotech | 2024

von Salaria, P. | Subrahmanyeswara Rao, N. | Dhameliya, T. | +1

2

Integrated machine learning-based virtual screening and biological evaluation for identification of potential inhibitors against cathepsin K

enthalten in: Molecular diversity | 2024

von Parwez, S. | Chaurasia, A. | Mahapatra, P. | +2

3

QSAR Study, Molecular Docking and Molecular Dynamic Simulation of Aurora Kinase Inhibitors Derived from Imidazo[4,5-b]pyridine Derivatives

enthalten in: Molecules (Basel, Switzerland) | 2024

von Tian, Y. | Tong, J. | Liu, Y. | +1

4

Analysis of the binding pattern of NIK inhibitors by computational simulation

enthalten in: Journal of biomolecular structure & dynamics | 2024

von Tang, Y.

5

Molecular docking and molecular dynamics simulation decoding molecular mechanism of EDCs binding to hERRγ

enthalten in: Journal of molecular modeling | 2024

von Sun, Y. | Chen, L. | Zhao, B. | +1

6

Molecular docking and molecular dynamics simulation decoding molecular mechanism of EDCs binding to hERRγ

enthalten in: Journal of molecular modeling | 2024

von Sun, Y. | Chen, L. | Zhao, B. | +1

7

Molecular dynamics simulations to explore the binding mode between the amyloid-β protein precursor (APP) and adaptor protein Mint2

enthalten in: Scientific reports | 2024

von Wang, M. | Liu, K.

8

A combination of virtual screening, molecular dynamics simulation, MM/PBSA, ADMET, and DFT calculations to identify a potential DPP4 inhibitor

enthalten in: Scientific reports | 2024

von Zare, F. | Ataollahi, E. | Mardaneh, P. | +4

9

Design of novel DABO derivatives as HIV-1 RT inhibitors using molecular docking, molecular dynamics simulations and ADMET properties

enthalten in: Journal of biomolecular structure & dynamics | 2024

von Zhang, Y. | Chen, L. | Wang, Z. | +4

10

Discovery of lupus nephritis targeted inhibitors based on De novo molecular design : comprehensive application of vinardo scoring, ADMET analysis, and molecular dynamics simulation

enthalten in: Journal of biomolecular structure & dynamics | 2024

von Zhang, K. | Tang, Y. | Yu, H. | +3

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