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2020 | 3 |
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Page 1
Accelerated Ligand-Mapping Molecular Dynamics Simulations for the Detection of Recalcitrant Cryptic Pockets and Occluded Binding Sites.
J Chem Theory Comput. 2022 Mar 8;18(3):1969-1981. doi: 10.1021/acs.jctc.1c01177. Epub 2022 Feb 17.
J Chem Theory Comput. 2022.
PMID: 35175753
Plasticity of the 340-Loop in Influenza Neuraminidase Offers New Insight for Antiviral Drug Development.
Han N, Ng JTY, Li Y, Mu Y, Huang Z.
Han N, et al. Among authors: ng jty.
Int J Mol Sci. 2020 Aug 6;21(16):5655. doi: 10.3390/ijms21165655.
Int J Mol Sci. 2020.
PMID: 32781779
Free PMC article.
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A novel virtual screening procedure identifies Pralatrexate as inhibitor of SARS-CoV-2 RdRp and it reduces viral replication in vitro.
Zhang H, Yang Y, Li J, Wang M, Saravanan KM, Wei J, Tze-Yang Ng J, Tofazzal Hossain M, Liu M, Zhang H, Ren X, Pan Y, Peng Y, Shi Y, Wan X, Liu Y, Wei Y.
Zhang H, et al. Among authors: tze yang ng j.
PLoS Comput Biol. 2020 Dec 31;16(12):e1008489. doi: 10.1371/journal.pcbi.1008489. eCollection 2020 Dec.
PLoS Comput Biol. 2020.
PMID: 33382685
Free PMC article.
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DeepBindPoc: a deep learning method to rank ligand binding pockets using molecular vector representation.
Zhang H, Saravanan KM, Lin J, Liao L, Ng JT, Zhou J, Wei Y.
Zhang H, et al. Among authors: ng jt.
PeerJ. 2020 Apr 6;8:e8864. doi: 10.7717/peerj.8864. eCollection 2020.
PeerJ. 2020.
PMID: 32292649
Free PMC article.
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Structural and computational examination of the Arabidopsis profilin-Poly-P complex reveals mechanistic details in profilin-regulated actin assembly.
Qiao Z, Sun H, Ng JTY, Ma Q, Koh SH, Mu Y, Miao Y, Gao YG.
Qiao Z, et al. Among authors: ng jty.
J Biol Chem. 2019 Dec 6;294(49):18650-18661. doi: 10.1074/jbc.RA119.011307. Epub 2019 Oct 25.
J Biol Chem. 2019.
PMID: 31653702
Free PMC article.
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