| Towards molecular simulations that are transparent, reproducible, usable by others, and extensible (TRUE) MW Thompson, JB Gilmer, RA Matsumoto, CD Quach, P Shamaprasad, ... Molecular physics 118 (9-10), e1742938, 2020 | 23 | 2020 |
| Using molecular simulation to understand the skin barrier P Shamaprasad, CO Frame, TC Moore, A Yang, CR Iacovella, ... Progress in Lipid Research 88, 101184, 2022 | 19 | 2022 |
| Multiscale simulation of ternary stratum corneum lipid mixtures: effects of cholesterol composition P Shamaprasad, TC Moore, D Xia, CR Iacovella, AL Bunge, C McCabe Langmuir 38 (24), 7496-7511, 2022 | 8 | 2022 |
| Multiscale Modeling of Stratum Corneum Lipids to Understand the Barrier Function of Skin C Frame, P Shamaprasad, C Iacovella, A Bunge, C McCabe 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Multiscale Modeling of Stratum Corneum Lipids C Frame, P Shamaprasad, C Iacovella, A Bunge, C McCabe 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Multiscale Modeling of the Structure and Permeability of Self-Assembled Stratum Corneum Lipid Membranes C Iacovella, P Shamaprasad, C Frame, A Bunge, C McCabe 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Simulation Study of Stratum Corneum Lipid Self-Assembly P Shamaprasad, C Iacovella, A Bunge, C McCabe 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Development of Coarse-Grained Forcefields for the Self-Assembly of Ceramide-Based Lipid Membranes C Iacovella, P Shamaprasad, C Frame, A Bunge, C McCabe 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Simulation Study of the Long-Periodicity Phase of the Stratum Corneum P Shamaprasad, C Iacovella, A Bunge, C McCabe 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Exploring the Role of Lipid Tail Length on the Structure of Self-Assembled Stratum Corneum Lipids C Frame, P Shamaprasad, CR Iacovella, A Bunge, C McCabe 2021 AIChE Annual Meeting, 2021 | | 2021 |
| The Molecular Simulation Design Framework (MoSDeF): New Features to Improve User Experience and Support Reproducible Molecular Simulations NC Craven, C Quach, U Timalsina, J Gilmer, R Matsumoto, ... 2021 AIChE Annual Meeting, 2021 | | 2021 |
| The Molecular Simulation Design Framework (MoSDeF) Project: A Collaboration Towards Transparent, Reproducible, Usable By Others, Extensible (TRUE) Simulations J Gilmer, C Quach, R Matsumoto, P Shamaprasad, RS DeFever, R Singh, ... 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Development of coarse-grained model for a minimal stratum corneum lipid mixture P Shamaprasad, TC Moore, D Xia, CR Iacovella, AL Bunge, C McCabe bioRxiv, 2021.10. 04.463115, 2021 | | 2021 |
| Exploring the Effect of Cholesterol on the Structure of Stratum Corneum Model Lamella Via Coarse-Grained Molecular Dynamics P Shamaprasad, TC Moore, C Iacovella, A Bunge, C McCabe 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Gmso: A Flexible, Python-Based Representation of Chemical Topologies for Molecular Simulation C Quach, MW Thompson, U Timalsina, J Gilmer, R Matsumoto, ... 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Multiscale Modeling of Stratum Corneum Lipid Membranes C Iacovella, P Shamaprasad, C Frame, A Bunge, C McCabe 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Transferable Multiscale Model for Simulating Self-Assembled Skin Lipid Mixtures P Shamaprasad, TC Moore, C Iacovella, A Bunge, C McCabe 2019 AIChE Annual Meeting, 2019 | | 2019 |
| Multiscale Modeling of Stratum Corneum Lipid Mixtures C Iacovella, TC Moore, P Shamaprasad, A Bunge, C McCabe 2018 AIChE Annual Meeting, 2018 | | 2018 |
Clare McCabeHeriot Watt UniversityAdresse e-mail validée de hw.ac.uk
