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Yalun Yu
Yalun Yu
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Year
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
522021
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
442021
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
202020
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
122023
Modeling Pseudomonas aeruginosa inner plasma membrane in planktonic and biofilm modes
Y Yu, JB Klauda
The Journal of Chemical Physics 149 (21), 2018
82018
All-atom modeling of complex cellular membranes
MK Hsieh, Y Yu, JB Klauda
Langmuir 38 (1), 3-17, 2021
72021
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
72021
Estimating localization of various statins within a POPC bilayer
JO Kuba, Y Yu, JB Klauda
Chemistry and Physics of Lipids 236, 105074, 2021
72021
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
42021
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
22022
Modifying the CHARMM36 Lipid Force Field for LJ-PME Simulations
Y Yu, A Krämer, JB Klauda, RW Pastor
Biophysical Journal 118 (3), 87a, 2020
12020
Parameterization of the CHARMM Lipid Force Field and Applications to Membrane Modeling
Y Yu
University of Maryland, College Park, 2022
2022
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
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