| 1 |
Capturing Biologically Complex Tissue-Specific Membranes at Different Levels of Compositional Complexity
Ingolfsson HI, Bhatia H, Zeppelin T, Bennett WFD, Carpenter KA, Hsu PC, Dharuman G, Bremer PT, Schiott B, Lightstone FC, Carpenter TS
Journal of Physical Chemistry B, 124(36), 7819, 2020 |
| 2 |
Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data
Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS
Journal of Physical Chemistry B, 121(20), 5228, 2017 |
| 3 |
Molecular Recognition of Aromatic Rings by Flavin: Electrostatics and Dispersion Determine Ring Positioning above Isoalloxazine
Koziol L, Kumar N, Wong SE, Lightstone FC
Journal of Physical Chemistry A, 117(48), 12946, 2013 |
| 4 |
Toward a Small Molecule, Biomimetic Carbonic Anhydrase Model: Theoretical and Experimental Investigations of a Panel of Zinc(II) Aza-Macrocyclic Catalysts
Koziol L, Valdez CA, Baker SE, Lau EY, Floyd WC, Wong SE, Satcher JH, Lightstone FC, Aines RD
Inorganic Chemistry, 51(12), 6803, 2012 |
| 5 |
Environmental effects on the structure of metal ion-DOTA complexes: An ab initio study of radiopharmaceutical metals
Lau EY, Lightstone FC, Colvin ME
Inorganic Chemistry, 45(23), 9225, 2006 |
| 6 |
Dynamics of DNA encapsulated in a hydrophobic nanotube
Lau EY, Lightstone FC, Colvin ME
Chemical Physics Letters, 412(1-3), 82, 2005 |
| 7 |
A first principles molecular dynamics simulation of the hydrated magnesium ion
Lightstone FC, Schwegler E, Hood RQ, Gygi F, Galli G
Chemical Physics Letters, 343(5-6), 549, 2001 |
| 8 |
Molecular dynamics simulations of ground and transition states for the S(N)2 displacement of Cl- from 1,2-dichloroethane at the active site of Xanthobacter autotrophicus haloalkane dehalogenase
Lightstone FC, Zheng YJ, Bruice TC
Journal of the American Chemical Society, 120(23), 5611, 1998 |
| 9 |
Separation of ground state and transition state effects in intramolecular and enzymatic reactions .2. A theoretical study of the formation of transition states in cyclic anhydride formation
Lightstone FC, Bruice TC
Journal of the American Chemical Society, 119(39), 9103, 1997 |
| 10 |
Ground-State Conformations and Entropic and Enthalpic Factors in the Efficiency of Intramolecular and Enzymatic-Reactions .1. Cyclic Anhydride Formation by Substituted Glutarates, Succinate, and 3,6-Endoxo-Delta(4)-Tetrahydrophthalate Monophenyl Esters
Lightstone FC, Bruice TC
Journal of the American Chemical Society, 118(11), 2595, 1996 |
