Yew Mun Y. Email & Phone Number

London Area, United Kingdom

Cambridge, England, United Kingdom

Singapore

- Designed AUTACs using state-of-the-art structure-based and ligand-based drug design techniques, applying a deep understanding of protein-ligand interactions and advanced computational modeling and simulation tools.- Used a combination of structure-based and ligand-based approaches to design and evaluate potential drug candidates, taking into account factors such as ligand efficiency, drug-likeliness, and potential off-target effects.- Leveraged multiple commercial software packages, such as Maestro by Schrodinger and MOE by Chemical Computing Group, to design and optimize drug candidates.- Applied advanced in silico techniques, such as molecular docking, virtual screening, and molecular dynamics simulations, to identify and optimize hit molecules that bind to the protein target with high affinity and specificity.- Applied Free Energy Perturbation, Thermodynamic Integration, Linear Interaction Energy, and MMPBSA techniques to calculate the binding free energy of the screened molecules, and to identify those with the most favorable thermodynamic properties.- Used machine learning and artificial intelligence algorithms to improve the accuracy and efficiency of the in silico drug design process, and to identify novel and unconventional drug candidates.- Developed and implemented custom scripts and algorithms to automate the analysis and interpretation of complex computational data, and to facilitate the integration of in silico and experimental results.- Conducted extensive literature review to gain a deep understanding of the biological mechanism of protein targets and their role in disease, and used this knowledge to identify key challenges and opportunities for drug design and inform the design of in silico strategies for hit identification and optimization.- Worked closely with experimental teams to design and validate the in silico models, and to support the development of new therapeutic agents.

Singapore

- Employed advanced molecular dynamics simulation techniques, such as molecular dynamics with explicit solvent, replica exchange molecular dynamics, and steered molecular dynamics, to gain insights into the transport mechanism of the protein MFSD2a.- Utilized the latest developments in protein structure prediction, (i.e. AlphaFold), to generate accurate structural models of MFSD2a and its complexes with ligands.- Used the atomic-level insights from the simulations to study the dynamics of the protein, the mechanism of ligand binding and transport, and the effects of mutations and other perturbations on its function.- Applied the simulation results to guide the optimization of asset molecules, and to support the development of new therapeutic agents.- Conducted ligand-based drug design using pharmacophore generation and filtering techniques, and applied the resulting pharmacophore models to screen commercial libraries for new hit molecules.

Singapore

- Collaborated with multiple research groups within the University to gain a deep understanding of the therapeutic targets they were pursuing, and the underlying biological mechanisms and challenges.- Conducted extensive literature review and analysis to identify key insights and opportunities for drug design, and to support the development of novel and effective therapeutic agents.- Used a combination of structural biology and computational chemistry techniques, including protein structure analysis and prediction, molecular docking, and molecular dynamics simulations, to provide atomistic insights into the target proteins and their interactions with potential drug candidates.- Worked closely with chemists, medicinal chemists, and biologists to devise a comprehensive drug design strategy that integrates in silico methods and experimental assays to identify and optimize hit molecules and lead compounds.- Contributed to the development of new therapeutic agents for the treatment of tuberculosis, malaria, and breast cancer, and other diseases.

- Participated in drug design and discovery projects focused on the Central Nervous System, targeting proteins such as Dynamin-related Protein 1 (DRP1) and the Mitochondrial Permeability Transition Pore (MPTP).- Used homology modeling techniques, coupled with molecular dynamics simulations, to generate reliable and accurate structural models of the protein targets in the absence of crystal structures.- Applied a range of structure-based and ligand-based drug design methods, including docking, pharmacophore modeling, and quantum-mechanical calculations, to identify and optimize potential drug candidates.- Conducted high-throughput virtual screening to screen large compound libraries and identify novel hit molecules with improved binding affinity and drug-likeliness.- Worked closely with chemistry and biology teams to provide in silico support and guidance, and to integrate experimental and computational results to support the development of new therapeutic agents.

Doctor Of Philosophy (Ph.D.), Computational Chemistry, 3.95

Activities and Societies: 2013-2016: Nanyang Technological University Graduate Student Council- Developed and implemented novel force.

Master Of Science (M.Sc.), Computational Chemistry, 3.71

Activities and Societies: 2012-2013: Nanyang Technological University Graduate Student Council- Conducted research on the HK2-VDAC1.

Bachelor Of Science (B.Sc.), Chemistry And Biological Chemistry, 3.71

Activities and Societies: 2008-2009: Junior Common Room Committee in Hall of Residence 8 - Recreation Director 2009-2010: Junior Common.