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Usnic acid as potential inhibitors of BCL2 and P13K protein through network pharmacology-based analysis, molecular docking and molecular dynamic simulation.
Wong KKV, Roney M, Uddin N, Imran S, Gazali AM, Zamri N, Rullah K, Aluwi MFFM. Wong KKV, et al. J Biomol Struct Dyn. 2023;41(23):13632-13645. doi: 10.1080/07391102.2023.2178506. Epub 2023 Feb 16. J Biomol Struct Dyn. 2023. PMID: 36794726
The only exception is PI3KCG which has comparable results with the co-crystallised ligand with (-41.9351 kcal/mol). Furthermore, MD simulation has also revealed that usnic acid does not stay fit in the protein throughout the simulation trajectory for PI3KCA protein evident …
The only exception is PI3KCG which has comparable results with the co-crystallised ligand with (-41.9351 kcal/mol). Furthermore, MD s …
Evaluation of potential bacterial protease inhibitor properties of selected hydroxyquinoline derivatives: an in silico docking and molecular dynamics simulation approach.
Riaz F, Hossain MS, Roney M, Ali Y, Qureshi S, Muhammad R, Moshawih S, Abd Hamid S, Seidel V, Ur Rashid H, Ming LC. Riaz F, et al. J Biomol Struct Dyn. 2023 Nov;41(19):9756-9769. doi: 10.1080/07391102.2022.2146200. Epub 2022 Nov 18. J Biomol Struct Dyn. 2023. PMID: 36399018
The three derivatives were designed considering the amino acid residues identified at the active site of each protein involved in the binding of each co-crystallized ligand and drug-likeness properties. The ligands displayed binding energy values with the target proteins r …
The three derivatives were designed considering the amino acid residues identified at the active site of each protein involved in the bindin …
Dependence of the coincidence aperture function of narrow BGO crystals on crystal shape and light encoding schemes.
Thompson CJ, Roney JM, Lecomte R, Schmitt D, Lupton LR. Thompson CJ, et al. Phys Med Biol. 1986 May;31(5):491-506. doi: 10.1088/0031-9155/31/5/002. Phys Med Biol. 1986. PMID: 3488556
Although the spatial resolution in positron emission tomography is improved by reducing the crystal width, the resolution becomes increasingly non-uniform towards the edges of the field of view. This is mainly due to penetration of the gamma rays through one or more cry …
Although the spatial resolution in positron emission tomography is improved by reducing the crystal width, the resolution becomes inc …
A full-field modular gamma camera.
Milster TD, Aarsvold JN, Barrett HH, Landesman AL, Mar LS, Patton DD, Roney TJ, Rowe RK, Seacat RH 3rd. Milster TD, et al. J Nucl Med. 1990 May;31(5):632-9. J Nucl Med. 1990. PMID: 2341900 Free article.
A modular gamma ray camera is described that gives useful image information over its entire crystal face. The lack of dead area on the periphery of the camera is made possible by a unique application of digital electronics and optimal position estimation using maximum like …
A modular gamma ray camera is described that gives useful image information over its entire crystal face. The lack of dead area on th …