Publications
Publications
Rana, M.M. and Nguyen, D.D., 2023. Geometric Graph Learning to Predict Changes in Binding Free Energy and Protein Thermodynamic Stability upon Mutation. The Journal of Physical Chemistry Letters. https://doi.org/10.1021/acs.jpclett.3c02679
Rana, M.M. and Nguyen, D.D., 2023. Geometric Graph Learning with Extended Atom-Types Features for Protein-Ligand Binding Affinity Prediction. Computers in Biology and Medicine.https://doi.org/10.1016/j.compbiomed.2023.107250 Read it here
Rana, M.M. and Nguyen, D.D., 2022. EISA-Score: Element Interactive Surface Area Score for Protein-Ligand Binding Affinity Prediction. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.2c00697
Rana, M.M., Howle, V.E., Long, K., Meek, A., and Milestone, W., 2021. A New Block Preconditioner for Implicit Runge-Kutta Methods for Parabolic PDE Problems. SIAM Journal on Scientific Computing, 43(5), pp.S475-S495. https://doi.org/10.48550/arXiv.2010.11377 https://epubs.siam.org/doi/abs/10.1137/20M1349680
Rana, M.M., Dissanayake, C., Juan, L., Long, K.R. and Peace, A., 2019. Mechanistically derived spatially heterogeneous producer-grazer model subject to stoichiometric constraints. Mathematical Biosciences and Engineering, 16(1), pp.222-233. https://www.aimspress.com/fileOther/PDF/MBE/mbe-16-01-012.pdf
Dissanayake, C., Juan, L., Long, K.R., Peace, A. and Rana, M.M., 2019. Genotypic selection in spatially heterogeneous producer-grazer systems subject to stoichiometric constraints. Bulletin of mathematical biology, 81(11), pp.4726-4742. https://link.springer.com/article/10.1007/s11538-018-00559-9