Lee G. Pedersen

Publication Activity (10 Years)

Years Active: 1977-2012
Publications (10 Years): 0

Top Topics

Top Venues

Comput. Phys. Commun.

Publications

Dennis M. Elking, Lalith E. Perera, Lee G. Pedersen
HPAM: Hirshfeld partitioned atomic multipoles. Comput. Phys. Commun. 183 (2) (2012)
Dennis M. Elking, Lalith E. Perera, Robert E. Duke, Thomas A. Darden, Lee G. Pedersen
A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank. J. Comput. Chem. 32 (15) (2011)
Dennis M. Elking, Lalith E. Perera, Robert E. Duke, Thomas A. Darden, Lee G. Pedersen
Atomic forces for geometry-dependent point multipole and Gaussian multipole models. J. Comput. Chem. 31 (15) (2010)
Sangwook Wu, Vasu Chandrasekaran, Lee G. Pedersen
Free Energy Correction to Rigid Body Docking : Application to the Colicin E7 and Im7 Complex. ICCS (2) (2009)
Lalith E. Perera, Thomas A. Darden, Lee G. Pedersen
Predicted solution structure of zymogen human coagulation FVII. J. Comput. Chem. 23 (1) (2002)
Leping Li, Clarice R. Weinberg, Thomas A. Darden, Lee G. Pedersen
Gene selection for sample classification based on gene expression data: study of sensitivity to choice of parameters of the GA/KNN method. Bioinform. 17 (12) (2001)
Jose M. Mercero, Paul Barrett, Cheuk W. Lam, Joseph E. Fowler, Jesus M. Ugalde, Lee G. Pedersen
Quantum mechanical calculations on phosphate hydrolysis reactions. J. Comput. Chem. 21 (1) (2000)
Gilles Tiraboschi, Nohad Gresh, Claude Giessner-Prettre, Lee G. Pedersen, David W. Deerfield
Parallel ab initio and molecular mechanics investigation of polycoordinated Zn(II) complexes with model hard and soft ligands: Variations of binding energy and of its components with number and charges of ligands. J. Comput. Chem. 21 (12) (2000)
Thomas A. Darden, Lee G. Pedersen, Abdulnour Toukmaji, Michael Crowley, Thomas E. Cheatham
Particle-Mesh Based Methods for Fast Ewald Summation in Molecular Dynamics Simulations. PPSC (1997)
Darrin M. York, Lee J. Bartolotti, Thomas A. Darden, Lee G. Pedersen, M. W. Anderson
Simulations of the Solution Structure of HIV-1 Protease in the Presence and Absence of Bound Zinc. J. Comput. Chem. 15 (1) (1994)
Lee G. Pedersen, G. L. Carison
Molecular fragment transfer in ab initio calculations. Comput. Chem. 1 (2) (1977)