| Coarse-grained modeling of protein second osmotic virial coefficients: sterics and short-ranged attractions A Grünberger, PK Lai, MA Blanco, CJ Roberts The Journal of Physical Chemistry B 117 (3), 763-770, 2013 | 66 | 2013 |
| Machine Learning Applied to Determine the Molecular Descriptors Responsible for the Viscosity Behavior of Concentrated Therapeutic Antibodies PK Lai, A Fernando, TK Cloutier, Y Gokarn, J Zhang, W Schwenger, ... Molecular Pharmaceutics 18 (3), 1167–1175, 2021 | 44 | 2021 |
| Rapid determination of entropy and free energy of mixtures from molecular dynamics simulations with the two-phase thermodynamic model PK Lai, CM Hsieh, ST Lin Physical Chemistry Chemical Physics 14 (43), 15206-15213, 2012 | 44 | 2012 |
| Insights into membrane translocation of protegrin antimicrobial peptides by multistep molecular dynamics simulations PK Lai, YN Kaznessis ACS omega 3 (6), 6056-6065, 2018 | 37 | 2018 |
| Machine learning prediction of antibody aggregation and viscosity for high concentration formulation development of protein therapeutics PK Lai, A Gallegos, N Mody, HA Sathish, BL Trout mAbs 14 (1), 2026208, 2022 | 29 | 2022 |
| Prediction of miscibility gaps in water/ether mixtures using COSMO-SAC model ST Lin, LH Wang, WL Chen, PK Lai, CM Hsieh Fluid phase equilibria 310 (1-2), 19-24, 2011 | 29 | 2011 |
| Machine learning feature selection for predicting high concentration therapeutic antibody aggregation PK Lai, A Fernando, TK Cloutier, JS Kingsbury, Y Gokarn, KT Halloran, ... Journal of Pharmaceutical Sciences 110 (4), 1583-1591, 2020 | 28 | 2020 |
| Calculation of therapeutic antibody viscosity with coarse-grained models, hydrodynamic calculations and machine learning-based parameters PK Lai, JW Swan, BL Trout MAbs 13 (1), 1907882, 2021 | 26 | 2021 |
| Identification and elucidation of proline‐rich antimicrobial peptides with enhanced potency and delivery PK Lai, DT Tresnak, BJ Hackel Biotechnology and bioengineering 116 (10), 2439–2450, 2019 | 26 | 2019 |
| Free Energy Calculations of Microcin J25 Variants Binding to the FhuA Receptor PK Lai, YN Kaznessis Journal of Chemical Theory and Computation 13 (7), 3413-3423, 2017 | 18 | 2017 |
| Systematic mutagenesis of oncocin reveals enhanced activity and insights into the mechanisms of antimicrobial activity PK Lai, K Geldart, S Ritter, YN Kaznessis, BJ Hackel Molecular systems design & engineering 3 (6), 930-941, 2018 | 16 | 2018 |
| DeepSCM: an efficient convolutional neural network surrogate model for the screening of therapeutic antibody viscosity PK Lai Computational and Structural Biotechnology Journal 20, 2143-2152, 2022 | 14 | 2022 |
| Differences in human IgG1 and IgG4 S228P monoclonal antibodies viscosity and self-interactions: Experimental assessment and computational predictions of domain interactions PK Lai, G Ghag, Y Yu, V Juan, L Fayadat-Dilman, BL Trout Mabs 13 (1), 1991256, 2021 | 12 | 2021 |
| Rapid determination of entropy for flexible molecules in condensed phase from the two-phase thermodynamic model PK Lai, ST Lin RSC Advances 4 (19), 9522-9533, 2014 | 12 | 2014 |
| Internal coordinate density of state from molecular dynamics simulation PK Lai, ST Lin Journal of Computational Chemistry 36 (8), 507-517, 2015 | 5 | 2015 |
| Teaching biologics design using molecular modeling and simulations A Phillips, A Srinivas, I Prentoska, M O'Dea, M Kustrup, S Hurley, S Bruno, ... Biochemistry and Molecular Biology Education, 2024 | | 2024 |
| DeepSP: Deep Learning-Based Spatial Properties to Predict Monoclonal Antibody Stability LA Kalejaye, IE Wu, T Terry, PK Lai bioRxiv, 2024.02. 28.582582, 2024 | | 2024 |
| Investigating the mechanisms of antibody binding to alpha-synuclein for the treatment of Parkinson's Disease MC Harrison, PK Lai bioRxiv, 2024.02. 27.582350, 2024 | | 2024 |
| Determination of Metabolic Fluxes by Deep Learning of Isotope Labeling Patterns RC Law, S O’Keeffe, G Nurwono, R Ki, A Lakhani, PK Lai, JO Park bioRxiv, 2023 | | 2023 |
| Teaching biologics formulation using molecular modeling and simulations A Phillips, A Srinivas, IP Prentoska, M O'Dea, M Kustrup, S Hurley, ... | | 2023 |
Shiang-Tai LinDepartment of Chemical Engineering, National Taiwan UniversityAdresse e-mail validée de ntu.edu.tw
