Ayoung Baek

Yonsei University — South Korea

Computer Science · Physical Sciences

15h-index767citations35works4.72yr avg
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Research Topics

Computational Drug Discovery Methods(16), RNA and protein synthesis mechanisms(7), Synthesis and biological activity(6), Chemical Synthesis and Analysis(3), Monoclonal and Polyclonal Antibodies Research(3)

Publications35 total

Correction: Inhibition of IRP2-dependent reprogramming of iron metabolism suppresses tumor growth in colorectal cancer
Cell Communication and Signaling·2024Open Access
Inhibition of IRP2-dependent reprogramming of iron metabolism suppresses tumor growth in colorectal cancer
Cell Communication and Signaling·2024· 14 citedOpen Access
Abstract 5937: KS20226, a first-in-class IRP2 inhibitor, preferentially induces reprogramming of iron metabolism and suppresses tumor growth in colorectal cancer
Cancer Research·2024
Hot spot profiles of SARS-CoV-2 and human ACE2 receptor protein protein interaction obtained by density functional tight binding fragment molecular orbital method
Scientific Reports·2020· 71 citedOpen Access
A Computational Approach with Biological Evaluation: Combinatorial Treatment of Curcumin and Exemestane Synergistically Regulates DDX3 Expression in Cancer Cell Lines
Biomolecules·2020· 17 citedOpen Access
Hot Spot Profiles of SARS-CoV-2 and Human ACE2 Receptor Protein-Protein Interaction Obtained by Density Functional Tight-Binding Fragment Molecular Orbital Method
Research Square (Research Square)·2020· 4 citedOpen Access
Discovery of Lonafarnib-Like Compounds: Pharmacophore Modeling and Molecular Dynamics Studies
ACS Omega·2020· 40 citedOpen Access
Correction to “Identification of Novel Scaffolds with Dual Role as Antiepileptic and Anti-Breast Cancer”
IEEE/ACM Transactions on Computational Biology and Bioinformatics·2020· 1 citedOpen Access
Correction to: Exploration for novel inhibitors showing back-to-front approach against VEGFR-2 kinase domain (4AG8) employing molecular docking mechanism and molecular dynamics simulations
BMC Cancer·2019· 2 citedOpen Access
Natural compounds as potential Hsp90 inhibitors for breast cancer-Pharmacophore guided molecular modelling studies
Computational Biology and Chemistry·2019· 37 citedOpen Access
Pharmacotherapeutics and Molecular Mechanism of Phytochemicals in Alleviating Hormone-Responsive Breast Cancer
Oxidative Medicine and Cellular Longevity·2019· 28 citedOpen Access
Discovery of Small Molecules That Target Vascular Endothelial Growth Factor Receptor-2 Signalling Pathway Employing Molecular Modelling Studies
Cells·2019· 20 citedOpen Access
In Silico Study Probes Potential Inhibitors of Human Dihydrofolate Reductase for Cancer Therapeutics
Journal of Clinical Medicine·2019· 21 citedOpen Access
Discovery of Potential Plant-Derived Peptide Deformylase (PDF) Inhibitors for Multidrug-Resistant Bacteria Using Computational Studies
Journal of Clinical Medicine·2018· 31 citedOpen Access
Investigation of novel chemical scaffolds targeting prolyl oligopeptidase for neurological therapeutics
Journal of Molecular Graphics and Modelling·2018· 11 cited
Discovery of Non-Peptidic Compounds against Chagas Disease Applying Pharmacophore Guided Molecular Modelling Approaches
Molecules·2018· 7 citedOpen Access
Identification of Novel Scaffolds with Dual Role as Antiepileptic and Anti-Breast Cancer
IEEE/ACM Transactions on Computational Biology and Bioinformatics·2018· 8 cited
Modulation of aromatase by natural compounds—A pharmacophore guided molecular modelling simulations
South African Journal of Botany·2018· 9 citedOpen Access
Integration of virtual screening and computational simulation identifies photodynamic therapeutics against human Protoporphyrinogen Oxidase IX (hPPO)
Arabian Journal of Chemistry·2018· 3 citedOpen Access
Targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches
Computational Biology and Chemistry·2018· 42 citedOpen Access
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Frequent Co-authors

Keun Woo Lee(24), Minky Son(23), Shailima Rampogu(20), Chanin Park(19), Amir Zeb(14), Raj Kumar(8), Seok Ju Park(8), Rohit Bavi(7), Gihwan Lee(7), Hocheol Lim(5), Kyoung Tai No(5), Parameswaran Saravanan(5), Shraddha Parate(5), Yohan Park(4), Yuno Lee(4), Rabia Mukthar Rana(3), Jieon Hwang(3), Areum Park(3), Chinwoo Kim(3), Chang Gon Kim(3)