Lee G. Pedersen

According to our database, Lee G. Pedersen authored at least 11 papers between 1977 and 2012.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of five.

2012

HPAM: Hirshfeld partitioned atomic multipoles.

Dennis M. Elking, Lalith E. Perera, Lee G. Pedersen

Comput. Phys. Commun., 2012

2011

A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank.

Dennis M. Elking, Lalith E. Perera, Robert E. Duke, Thomas A. Darden, Lee G. Pedersen

J. Comput. Chem., 2011

2010

Atomic forces for geometry-dependent point multipole and Gaussian multipole models.

Dennis M. Elking, Lalith E. Perera, Robert E. Duke, Thomas A. Darden, Lee G. Pedersen

J. Comput. Chem., 2010

2009

Free Energy Correction to Rigid Body Docking : Application to the Colicin E7 and Im7 Complex.

Sangwook Wu, Vasu Chandrasekaran, Lee G. Pedersen

Proceedings of the Computational Science, 2009

2002

Predicted solution structure of zymogen human coagulation FVII.

Lalith E. Perera, Thomas A. Darden, Lee G. Pedersen

J. Comput. Chem., 2002

2001

Gene selection for sample classification based on gene expression data: study of sensitivity to choice of parameters of the GA/KNN method.

Leping Li, Clarice R. Weinberg, Thomas A. Darden, Lee G. Pedersen

Bioinform., 2001

2000

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.

Gilles Tiraboschi, Nohad Gresh, Claude Giessner-Prettre, Lee G. Pedersen, David W. Deerfield

J. Comput. Chem., 2000

Quantum mechanical calculations on phosphate hydrolysis reactions.

Jose M. Mercero, Paul Barrett, Cheuk W. Lam, Joseph E. Fowler, Jesus M. Ugalde, Lee G. Pedersen

J. Comput. Chem., 2000

1997

Particle-Mesh Based Methods for Fast Ewald Summation in Molecular Dynamics Simulations.

Thomas A. Darden, Lee G. Pedersen, Abdulnour Y. Toukmaji, Michael F. Crowley, Thomas E. Cheatham

Proceedings of the Eighth SIAM Conference on Parallel Processing for Scientific Computing, 1997

1994

Simulations of the Solution Structure of HIV-1 Protease in the Presence and Absence of Bound Zinc.

Darrin M. York, Lee J. Bartolotti, Thomas A. Darden, Lee G. Pedersen, M. W. Anderson

J. Comput. Chem., 1994

1977

Molecular fragment transfer in ab initio calculations.

Lee G. Pedersen, G. L. Carison

Comput. Chem., 1977