lee pedersen
lee pedersen
emeritus professor of chemistry, university of north carolina at chapel hill
Verified email at
Cited by
Cited by
Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems
T Darden, D York, L Pedersen
The Journal of chemical physics 98 (12), 10089-10092, 1993
A smooth particle mesh Ewald method
U Essmann, L Perera, ML Berkowitz, T Darden, H Lee, LG Pedersen
The Journal of chemical physics 103 (19), 8577-8593, 1995
Gene selection for sample classification based on gene expression data: study of sensitivity to choice of parameters of the GA/KNN method
L Li, CR Weinberg, TA Darden, LG Pedersen
Bioinformatics 17 (12), 1131-1142, 2001
The effect of long‐range electrostatic interactions in simulations of macromolecular crystals: A comparison of the Ewald and truncated list methods
DM York, TA Darden, LG Pedersen
The Journal of chemical physics 99 (10), 8345-8348, 1993
New tricks for modelers from the crystallography toolkit: the particle mesh Ewald algorithm and its use in nucleic acid simulations
T Darden, L Perera, L Li, L Pedersen
Structure 7 (3), R55-R60, 1999
Structure and function of sulfotransferases
M Negishi, LG Pedersen, E Petrotchenko, S Shevtsov, A Gorokhov, ...
Archives of biochemistry and biophysics 390 (2), 149-157, 2001
Crystal structure of estrogen sulphotransferase.
Y Kakuta, LG Pedersen, CW Carter, M Negishi, LC Pedersen
Nature structural biology 4 (11), 904-908, 1997
Molecular‐Orbital Studies of Hydrogen Bonds. An Ab Initio Calculation for Dimeric H2O
K Morokuma, L Pedersen
The Journal of Chemical Physics 48 (7), 3275-3282, 1968
Gene assessment and sample classification for gene expression data using a genetic algorithm/k-nearest neighbor method
L Li, TA Darden, CR Weingberg, AJ Levine, LG Pedersen
Combinatorial chemistry & high throughput screening 4 (8), 727-739, 2001
Towards an accurate representation of electrostatics in classical force fields: Efficient implementation of multipolar interactions in biomolecular simulations
C Sagui, LG Pedersen, TA Darden
The Journal of chemical physics 120 (1), 73-87, 2004
Atomic-level accuracy in simulations of large protein crystals.
DM York, A Wlodawer, LG Pedersen, TA Darden
Proceedings of the National Academy of Sciences 91 (18), 8715-8718, 1994
Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure
JP Piquemal, L Perera, GA Cisneros, P Ren, LG Pedersen, TA Darden
The Journal of chemical physics 125 (5), 2006
Toward the accurate modeling of DNA: the importance of long-range electrostatics
DM York, W Yang, H Lee, T Darden, LG Pedersen
Journal of the American Chemical Society 117 (17), 5001-5002, 1995
Phenobarbital indirectly activates the constitutive active androstane receptor (CAR) by inhibition of epidermal growth factor receptor signaling
S Mutoh, M Sobhany, R Moore, L Perera, L Pedersen, T Sueyoshi, ...
Science signaling 6 (274), ra31-ra31, 2013
Influences of solvent water on protein folding: free energies of solvation of cis and trans peptides are nearly identical
A Radzicka, L Pedersen, R Wolfenden
Biochemistry 27 (12), 4538-4541, 1988
Conserved structural motifs in the sulfotransferase family
Y Kakuta, LG Pedersen, LC Pedersen, M Negishi
Trends in biochemical sciences 23 (4), 129-130, 1998
Ab Initio Calculations of the Barriers to Internal Rotation of CH3CH3, CH3NH2, CH3OH, N2H4, H2O2, and NH2OH
L Pedersen, K Morokuma
The Journal of Chemical Physics 46 (10), 3941-3947, 1967
Role of glutamine-61 in the hydrolysis of GTP by p21H-ras: an experimental and theoretical study
M Frech, TA Darden, LG Pedersen, CK Foley, PS Charifson, ...
Biochemistry 33 (11), 3237-3244, 1994
An atomic model for the pleated β-sheet structure of Aβ amyloid protofilaments
L Li, TA Darden, L Bartolotti, D Kominos, LG Pedersen
Biophysical Journal 76 (6), 2871-2878, 1999
Ionic charging free energies: Spherical versus periodic boundary conditions
T Darden, D Pearlman, LG Pedersen
The Journal of chemical physics 109 (24), 10921-10935, 1998
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