| CHARMM36 lipid force field with explicit treatment of long-range dispersion: parametrization and validation for phosphatidylethanolamine, phosphatidylglycerol, and ether lipids Y Yu, A Kramer, RM Venable, BR Brooks, JB Klauda, RW Pastor Journal of chemical theory and computation 17 (3), 1581-1595, 2021 | 60 | 2021 |
| Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion Y Yu, A Krämer, RM Venable, AC Simmonett, AD MacKerell, JB Klauda, ... Journal of Chemical Theory and Computation 17 (3), 1562–1580, 2021 | 48 | 2021 |
| Update of the CHARMM36 united atom chain model for hydrocarbons and phospholipids Y Yu, JB Klauda The Journal of Physical Chemistry B 124 (31), 6797-6812, 2020 | 24 | 2020 |
| Drude polarizable lipid force field with explicit treatment of long-range dispersion: Parametrization and validation for saturated and monounsaturated zwitterionic lipids Y Yu, RM Venable, J Thirman, P Chatterjee, A Kumar, RW Pastor, B Roux, ... Journal of chemical theory and computation 19 (9), 2590-2605, 2023 | 16 | 2023 |
| Modeling Pseudomonas aeruginosa inner plasma membrane in planktonic and biofilm modes Y Yu, JB Klauda The Journal of Chemical Physics 149 (21), 2018 | 10 | 2018 |
| All-atom modeling of complex cellular membranes MK Hsieh, Y Yu, JB Klauda Langmuir 38 (1), 3-17, 2021 | 9 | 2021 |
| Estimating localization of various statins within a POPC bilayer JO Kuba, Y Yu, JB Klauda Chemistry and Physics of Lipids 236, 105074, 2021 | 7 | 2021 |
| Symmetric and Asymmetric Models for the Arabidopsis thaliana Plasma Membrane: A Simulation Study Y Yu, JB Klauda The Journal of Physical Chemistry B 125 (41), 11418-11431, 2021 | 6 | 2021 |
| Simulations of diabetic and non-diabetic peripheral nerve myelin lipid bilayers Y Yuan, Y Yu, JB Klauda The Journal of Physical Chemistry B 125 (23), 6201-6213, 2021 | 6 | 2021 |
| Molecular dynamics simulations of the human ocular lens with age and cataract JB Fernandes, Y Yu, JB Klauda Biochimica et Biophysica Acta (BBA)-Biomembranes 1864 (11), 184025, 2022 | 3 | 2022 |
| OPLS5: Addition of Polarizability and Improved Treatment of Metals W Damm, S Dajnowicz, D Ghoreishi, Y Yu, K Ganeshan, O Madin, ... | 1 | 2024 |
| Parameterization of the CHARMM Lipid Force Field and Applications to Membrane Modeling Y Yu University of Maryland, College Park, 2022 | 1 | 2022 |
| Modifying the CHARMM36 Lipid Force Field for LJ-PME Simulations Y Yu, A Krämer, JB Klauda, RW Pastor Biophysical Journal 118 (3), 87a, 2020 | 1 | 2020 |
| Recent Updates to the Charmm Lipid Force Fields Y Yu, JB Klauda, AD MacKerell, B Roux, RW Pastor Biophysical Journal 120 (3), 325a, 2021 | | 2021 |
| Update of the CHARMM36 United Atom Chain Model for Lipids Y Yu, JB Klauda Biophysical Journal 118 (3), 88a, 2020 | | 2020 |
| Modeling Pseudomonas aeruginosa Inner Plasma Membrane in Planktonic and Biofilm Modes Y Yu, JB Klauda Biophysical Journal 116 (3), 507a, 2019 | | 2019 |
Jeffery B. KlaudaProfessor of Chemical Engineering, University of MarylandVerified email at umd.edu
