The molecular structure of the liquid-ordered phase of lipid bilayers AJ Sodt, ML Sandar, K Gawrisch, RW Pastor, E Lyman Journal of the American Chemical Society 136 (2), 725-732, 2014 | 248 | 2014 |
Auxiliary basis expansions for large-scale electronic structure calculations Y Jung, A Sodt, PMW Gill, M Head-Gordon Proceedings of the National Academy of Sciences 102 (19), 6692-6697, 2005 | 243 | 2005 |
CHARMM all-atom additive force field for sphingomyelin: elucidation of hydrogen bonding and of positive curvature RM Venable, AJ Sodt, B Rogaski, H Rui, E Hatcher, AD MacKerell, ... Biophysical journal 107 (1), 134-145, 2014 | 215 | 2014 |
Linear scaling density fitting A Sodt, JE Subotnik, M Head-Gordon The Journal of chemical physics 125 (19), 2006 | 168 | 2006 |
A near linear-scaling smooth local coupled cluster algorithm for electronic structure JE Subotnik, A Sodt, M Head-Gordon The Journal of chemical physics 125 (7), 2006 | 168 | 2006 |
Hexagonal substructure and hydrogen bonding in liquid-ordered phases containing palmitoyl sphingomyelin AJ Sodt, RW Pastor, E Lyman Biophysical journal 109 (5), 948-955, 2015 | 133 | 2015 |
Predicting accurate electronic excitation transfer rates via Marcus theory with Boys or Edmiston− Ruedenberg localized diabatization JE Subotnik, J Vura-Weis, AJ Sodt, MA Ratner The Journal of Physical Chemistry A 114 (33), 8665-8675, 2010 | 108 | 2010 |
Depth of α-synuclein in a bilayer determined by fluorescence, neutron reflectometry, and computation CM Pfefferkorn, F Heinrich, AJ Sodt, AS Maltsev, RW Pastor, JC Lee Biophysical journal 102 (3), 613-621, 2012 | 106 | 2012 |
Nonadditive compositional curvature energetics of lipid bilayers AJ Sodt, RM Venable, E Lyman, RW Pastor Physical review letters 117 (13), 138104, 2016 | 87 | 2016 |
Hartree-Fock exchange computed using the atomic resolution of the identity approximation A Sodt, M Head-Gordon The Journal of chemical physics 128 (10), 2008 | 87 | 2008 |
Bending free energy from simulation: correspondence of planar and inverse hexagonal lipid phases AJ Sodt, RW Pastor Biophysical journal 104 (10), 2202-2211, 2013 | 79 | 2013 |
The limits of local correlation theory: Electronic delocalization and chemically smooth potential energy surfaces JE Subotnik, A Sodt, M Head-Gordon The Journal of chemical physics 128 (3), 2008 | 79 | 2008 |
Molecular modeling of lipid membrane curvature induction by a peptide: more than simply shape AJ Sodt, RW Pastor Biophysical journal 106 (9), 1958-1969, 2014 | 77 | 2014 |
Palmitoylation contributes to membrane curvature in influenza A virus assembly and hemagglutinin-mediated membrane fusion P Chlanda, E Mekhedov, H Waters, A Sodt, C Schwartz, V Nair, PS Blank, ... Journal of virology 91 (21), 10.1128/jvi. 00947-17, 2017 | 67 | 2017 |
Gramicidin A channel formation induces local lipid redistribution I: experiment and simulation AH Beaven, AM Maer, AJ Sodt, H Rui, RW Pastor, OS Andersen, W Im Biophysical Journal 112 (6), 1185-1197, 2017 | 61 | 2017 |
Unrestricted perfect pairing: The simplest wave-function-based model chemistry beyond mean field GJO Beran, B Austin, A Sodt, M Head-Gordon The Journal of Physical Chemistry A 109 (40), 9183-9192, 2005 | 58 | 2005 |
An implicit solvent coarse-grained lipid model with correct stress profile AJ Sodt, T Head-Gordon The Journal of chemical physics 132 (20), 2010 | 52 | 2010 |
The curvature induction of surface-bound antimicrobial peptides piscidin 1 and piscidin 3 varies with lipid chain length BS Perrin, AJ Sodt, ML Cotten, RW Pastor Biophysical Journal 108 (2), 498a, 2015 | 48 | 2015 |
Cholesterol-dependent bending energy is important in cholesterol distribution of the plasma membrane DW Allender, AJ Sodt, M Schick Biophysical journal 116 (12), 2356-2366, 2019 | 41 | 2019 |
Localized orbital theory and ammonia triborane JE Subotnik, A Sodt, M Head-Gordon Physical Chemistry Chemical Physics 9 (41), 5522-5530, 2007 | 39 | 2007 |