Theo dõi
lee pedersen
lee pedersen
emeritus professor of chemistry, university of north carolina at chapel hill
Email được xác minh tại ad.unc.edu
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
Particle mesh Ewald: An N log (N) method for Ewald sums in large systems
T Darden, D York, L Pedersen
Journal of chemical physics 98, 10089-10089, 1993
315771993
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
232511995
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
10081993
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
8642001
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
7501999
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
4432001
Crystal structure of estrogen sulphotransferase.
Y Kakuta, LG Pedersen, CW Carter, M Negishi, LC Pedersen
Nature structural biology 4 (11), 904-908, 1997
3461997
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
3351968
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
2732004
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
2702001
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
2401994
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
2392006
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
2222013
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
2191995
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
2161988
Conserved structural motifs in the sulfotransferase family
Y Kakuta, LG Pedersen, LC Pedersen, M Negishi
Trends in biochemical sciences 23 (4), 129-130, 1998
2051998
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
1961967
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
1701994
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
1581999
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
1561998
Hệ thống không thể thực hiện thao tác ngay bây giờ. Hãy thử lại sau.
Bài viết 1–20