| Markov state models to study the functional dynamics of proteins in the wake of machine learning KA Konovalov, IC Unarta, S Cao, EC Goonetilleke, X Huang JACS Au 1 (9), 1330-1341, 2021 | 78 | 2021 |
| Elucidation of the key role of Pt··· Pt interactions in the directional self-assembly of platinum (II) complexes X Zheng, MHY Chan, AKW Chan, S Cao, M Ng, FK Sheong, C Li, ... Proceedings of the National Academy of Sciences 119 (12), e2116543119, 2022 | 36 | 2022 |
| Temperature-dependent kinetic pathways of heterogeneous ice nucleation competing between classical and non-classical nucleation C Li, Z Liu, EC Goonetilleke, X Huang Nature Communications 12 (1), 4954, 2021 | 35 | 2021 |
| Incorporation efficiency and inhibition mechanism of 2′-substituted nucleotide analogs against SARS-CoV-2 RNA-dependent RNA polymerase C Yuan, EC Goonetilleke, IC Unarta, X Huang Physical Chemistry Chemical Physics 23 (36), 20117-20128, 2021 | 14 | 2021 |
| Kinetic network models to study molecular self-assembly in the wake of machine learning B Liu, Y Qiu, EC Goonetilleke, X Huang MRS Bulletin 47 (9), 958-966, 2022 | 12 | 2022 |
| Role of surface templating on ice nucleation efficiency on a silver iodide surface Z Liu, C Li, EC Goonetilleke, Y Cui, X Huang The Journal of Physical Chemistry C 125 (34), 18857-18865, 2021 | 11 | 2021 |
| Nucleotide addition and cleavage by RNA polymerase II: Coordination of two catalytic reactions using a single active site IC Unarta, EC Goonetilleke, D Wang, X Huang Journal of Biological Chemistry 299 (2), 2023 | 10 | 2023 |
| The ion-dipole correction of the 3DRISM solvation model to accurately compute water distributions around negatively charged biomolecules S Cao, Y Qiu, IC Unarta, EC Goonetilleke, X Huang The Journal of Physical Chemistry B 126 (43), 8632-8645, 2022 | 6 | 2022 |
| A comprehensive mechanism for 5-carboxylcytosine-induced transcriptional pausing revealed by Markov state models KA Konovalov, W Wang, G Wang, EC Goonetilleke, X Gao, D Wang, ... Journal of Biological Chemistry 296, 2021 | 6 | 2021 |
| Submillisecond Atomistic Molecular Dynamics Simulations Reveal Hydrogen Bond-Driven Diffusion of a Guest Peptide in Protein–RNA Condensate IC Unarta, S Cao, EC Goonetilleke, J Niu, SH Gellman, X Huang The Journal of Physical Chemistry B 128 (10), 2347-2359, 2024 | 1 | 2024 |
| ChemPLAN-Net: A deep learning framework to find novel inhibitor fragments for proteins MA Suarez Vasquez, M Xue, JH Lam, EC Goonetilleke, X Gao, X Huang bioRxiv, 2021.08. 08.455375, 2021 | 1 | 2021 |
| Sub-millisecond Atomistic Simulations Reveal Hydrogen Bond-Driven Diffusion of a Guest Peptide in Protein-RNA Condensate IC Unarta, S Cao, EC Goonetilleke, J Niu, SH Gellman, X Huang | | 2023 |
| ChemPLAN-Net: A deep learning framework to find novel inhibitor fragments for proteins S Vasquez, M Xue, JH Lam, EC Goonetilleke, X Gao, X Huang | | 2021 |
