Wong CF - Search Results

1

Quantitative Prediction of Dissociation Rates of PYK2 Ligands Using Umbrella Sampling and Milestoning.

Spiriti J, Wong CF. Spiriti J, et al. Among authors: wong cf. J Chem Theory Comput. 2024 May 14;20(9):4029-4044. doi: 10.1021/acs.jctc.4c00192. Epub 2024 Apr 19. J Chem Theory Comput. 2024. PMID: 38640609

2

Simulation of ligand dissociation kinetics from the protein kinase PYK2.

Spiriti J, Noé F, Wong CF. Spiriti J, et al. Among authors: wong cf. J Comput Chem. 2022 Oct 30;43(28):1911-1922. doi: 10.1002/jcc.26991. Epub 2022 Sep 8. J Comput Chem. 2022. PMID: 36073605 Free PMC article.

3

Qualitative Prediction of Ligand Dissociation Kinetics from Focal Adhesion Kinase Using Steered Molecular Dynamics.

Spiriti J, Wong CF. Spiriti J, et al. Among authors: wong cf. Life (Basel). 2021 Jan 20;11(2):74. doi: 10.3390/life11020074. Life (Basel). 2021. PMID: 33498237 Free PMC article.

4

Milestoning simulation of ligand dissociation from the glycogen synthase kinase 3β.

Rathnayake S, Narayan B, Elber R, Wong CF. Rathnayake S, et al. Among authors: wong cf. Proteins. 2023 Feb;91(2):209-217. doi: 10.1002/prot.26423. Epub 2022 Sep 24. Proteins. 2023. PMID: 36104870 Free PMC article.

5

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

Wong CF. Wong CF. J Comput Chem. 2018 Jul 15;39(19):1307-1318. doi: 10.1002/jcc.25201. Epub 2018 Mar 2. J Comput Chem. 2018. PMID: 29498075

6

Conformational transition paths harbor structures useful for aiding drug discovery and understanding enzymatic mechanisms in protein kinases.

Wong CF. Wong CF. Protein Sci. 2016 Jan;25(1):192-203. doi: 10.1002/pro.2716. Epub 2015 Jun 22. Protein Sci. 2016. PMID: 26032746 Free PMC article.

7

Flexible protein-flexible ligand docking with disrupted velocity simulated annealing.

Huang Z, Wong CF, Wheeler RA. Huang Z, et al. Among authors: wong cf. Proteins. 2008 Apr;71(1):440-54. doi: 10.1002/prot.21781. Proteins. 2008. PMID: 17957770

8

A mining minima approach to exploring the docking pathways of p-nitrocatechol sulfate to YopH.

Huang Z, Wong CF. Huang Z, et al. Among authors: wong cf. Biophys J. 2007 Dec 15;93(12):4141-50. doi: 10.1529/biophysj.107.113860. Epub 2007 Aug 31. Biophys J. 2007. PMID: 17766352 Free PMC article.

9

Conformational selection of protein kinase A revealed by flexible-ligand flexible-protein docking.

Huang Z, Wong CF. Huang Z, et al. Among authors: wong cf. J Comput Chem. 2009 Mar;30(4):631-44. doi: 10.1002/jcc.21090. J Comput Chem. 2009. PMID: 18711718

10

Rank-ordering protein-ligand binding affinity by a quantum mechanics/molecular mechanics/Poisson-Boltzmann-surface area model.

Wang M, Wong CF. Wang M, et al. Among authors: wong cf. J Chem Phys. 2007 Jan 14;126(2):026101. doi: 10.1063/1.2423029. J Chem Phys. 2007. PMID: 17228977 No abstract available.

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