Search Results - "Chung, F"

Steered molecular dynamics simulations for uncovering the molecular mechanisms of drug dissociation and for drug screening: A test on the focal adhesion kinase by Wong, Chung F.

“…Drug‐binding kinetics could play important roles in determining the efficacy of drugs and has caught the attention of more drug designers. Using the…”
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High STOP-Bang score indicates a high probability of obstructive sleep apnoea by Chung, F., Subramanyam, R., Liao, P., Sasaki, E., Shapiro, C., Sun, Y.

“…The STOP-Bang questionnaire is used to screen patients for obstructive sleep apnoea (OSA). We evaluated the association between STOP-Bang scores and the…”
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15 Years of molecular simulation of drug-binding kinetics by Wong, Chung F

“…Drug-binding kinetics has been increasingly recognized as an important factor to be considered in drug discovery. Long residence time could prolong the action…”
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Quantitative Prediction of Dissociation Rates of PYK2 Ligands Using Umbrella Sampling and Milestoning by Spiriti, Justin, Wong, Chung F.

“…We used umbrella sampling and the milestoning simulation method to study the dissociation of multiple ligands from protein kinase PYK2. The activation barriers…”
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Flexible receptor docking for drug discovery by Wong, Chung F

“…Molecular docking has become a popular method for virtual screening. Docking small molecules to a rigid biological receptor is fast but could produce many…”
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Multifaceted mechanisms in COPD: inflammation, immunity, and tissue repair and destruction by Chung, K. F, Adcock, I. M

“…Chronic obstructive pulmonary disease is a leading global cause of morbidity and mortality that is characterised by inexorable deterioration of small airways…”
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Duration of estrogen exposure during reproductive years, age at menarche and age at menopause, and risk of cardiovascular disease events, all‐cause and cardiovascular mortality: a systematic review and meta‐analysis by Mishra, SR, Chung, H‐F, Waller, M, Mishra, GD

“…Background Little is known about the estrogen exposure measurement and mutual effect of age at menarche and age at menopause in the risk of cardiovascular…”
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Lactobacilli reduce recurrences of vaginal candidiasis in pregnant women: a randomized, double‐blind, placebo‐controlled study by Ang, X.‐Y., Chung, F.‐Y.‐L., Lee, B.‐K., Azhar, S.N.A., Sany, S., Roslan, N.S., Ahmad, N., Yusof, S.M., Abdullah, N., Nik Ab Rahman, N.N., Abdul Wahid, N., Deris, Z.Z., Oon, C.‐E., Wan Adnan, W.F., Liong, M.‐T.

“…Aims The aim of this study was to investigate the effects of lactobacilli strains in preventing the recurrences of vaginal candidiasis (VC) in 78 pregnant…”
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Meta-analysis of the association between obstructive sleep apnoea and postoperative outcome by Kaw, R., Chung, F., Pasupuleti, V., Mehta, J., Gay, P.C., Hernandez, A.V.

“…Obstructive sleep apnoea (OSA) is often undiagnosed before elective surgery and may predispose patients to perioperative complications. A literature search of…”
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EDock‐ML: A web server for using ensemble docking with machine learning to aid drug discovery by Chandak, Tanay, Wong, Chung F.

“…EDock‐ML is a web server that facilitates the use of ensemble docking with machine learning to help decide whether a compound is worthwhile to be considered…”
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Real-Space Imaging of the Tailored Plasmons in Twisted Bilayer Graphene by Hu, F, Das, Suprem R, Luan, Y, Chung, T-F, Chen, Y P, Fei, Z

“…We report a systematic plasmonic study of twisted bilayer graphene (TBLG)-two graphene layers stacked with a twist angle. Through real-space nanoimaging of…”
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Simulation of ligand dissociation kinetics from the protein kinase PYK2 by Spiriti, Justin, Noé, Frank, Wong, Chung F.

“…Early‐stage drug discovery projects often focus on equilibrium binding affinity to the target alongside selectivity and other pharmaceutical properties. The…”
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Using machine learning to improve ensemble docking for drug discovery by Chandak, Tanay, Mayginnes, John P., Mayes, Howard, Wong, Chung F.

“…Ensemble docking has provided an inexpensive method to account for receptor flexibility in molecular docking for virtual screening. Unfortunately, as there is…”
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Inexpensive Method for Selecting Receptor Structures for Virtual Screening by Huang, Zunnan, Wong, Chung F

“…This article introduces a screening performance index (SPI) to help select from a number of experimental structures one or a few that are more likely to…”
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Proportion of surgical patients with undiagnosed obstructive sleep apnoea by Singh, M., Liao, P., Kobah, S., Wijeysundera, D.N., Shapiro, C., Chung, F.

“…Obstructive sleep apnoea (OSA) affects ∼9–24% of the general population, and 90% remain undiagnosed. Those patients with undiagnosed moderate-to-severe OSA may…”
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Death or near-death in patients with obstructive sleep apnoea: a compendium of case reports of critical complications by Subramani, Y., Nagappa, M., Wong, J., Patra, J., Chung, F.

“…The care of surgical patients with obstructive sleep apnoea (OSA) invokes concerns with safety and liability because of the risk that exists for perioperative…”
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Milestoning simulation of ligand dissociation from the glycogen synthase kinase 3β by Rathnayake, Samith, Narayan, Brajesh, Elber, Ron, Wong, Chung F.

“…As drug‐binding kinetics has become an important factor to be considered in modern drug discovery, this work evaluated the ability of the Milestoning method in…”
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Qualitative Prediction of Ligand Dissociation Kinetics from Focal Adhesion Kinase Using Steered Molecular Dynamics by Spiriti, Justin, Wong, Chung F

“…Most early-stage drug discovery projects focus on equilibrium binding affinity to the target alongside selectivity and other pharmaceutical properties. Since…”
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Lactic acid bacteria feeding reversed the malformed eye structures and ameliorated gut microbiota profiles of Drosophila melanogaster Alzheimer’s disease model by Liu, G., Tan, F.H.‐P., Lau, S.‐Y.A., Jaafar, M.H., Chung, F.Y.‐L., Azzam, G., Liong, M.‐T., Li, Y.

“…Aims To utilize transgenic GMR‐Aβ42 Drosophila melanogaster as a model to evaluate potential Alzheimer’s disease (AD)‐reversal effects via the administration…”
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Experimental investigation of tension and compression creep-ageing behaviour of AA2050 with different initial tempers by Li, Y., Shi, Z., Lin, J., Yang, Y.-L., Huang, B.-M., Chung, T.-F., Yang, J.-R.

“…Creep-ageing behaviour of aluminium alloy 2050 with different initial tempers (T34, T84 and as-quenched) has been experimentally investigated under both…”
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