Lee G. Pedersen

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Predicted solution structure of zymogen human coagulation FVII

Lalith E. Perera, Thomas A. Darden, Lee G. Pedersen, 2002, J. Comput. Chem..

Supercomputer applications: Edited by A. H. L. Emmen, North-Holland, Amsterdam, 1985

Lee G. Pedersen, 1986 .

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

Thomas A. Darden, Lee G. Pedersen, Leping Li, 2001, Bioinform..

Atomic forces for geometry‐dependent point multipole and Gaussian multipole models

Lalith E. Perera, Thomas A. Darden, Lee G. Pedersen, 2010, J. Comput. Chem..

Simulations of the solution structure of HIV‐1 protease in the presence and absence of bound zinc

Thomas A. Darden, Lee G. Pedersen, Darrin M. York, 1994, J. Comput. Chem..

HPAM: Hirshfeld partitioned atomic multipoles

Lalith E. Perera, Lee G. Pedersen, Dennis M. Elking, 2012, Comput. Phys. Commun..

Extension of GAUSSIAN70 to any number of atomic orbitals

Lee G. Pedersen, G. L. Carlson, 1975 .

Molecular fragment transfer in ab initio calculations

Lee G. Pedersen, G. L. Carison, 1977, Comput. Chem..

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

Thomas E. Cheatham, Thomas A. Darden, Lee G. Pedersen, 1997, PPSC.

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

Lalith E. Perera, Thomas A. Darden, Lee G. Pedersen, 2011, J. Comput. Chem..

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

Lee G. Pedersen, Sangwook Wu, Vasu Chandrasekaran, 2009, ICCS.

PCB and Related Compound Binding to the Ah Receptor(s) Theoretical Model Based on Molecular Parameters and Molecular Mechanics

Lee G. Pedersen, J. D. McKinney, T. Darden, 1985 .

Ionic charging free energies: Spherical versus periodic boundary conditions

Lee G. Pedersen, David A. Pearlman, T. Darden, 1998 .

Characterization of γ-Carboxyglutamic Acid Residue 21 of Human Factor IX†

Lee G. Pedersen, Alisa S. Wolberg, Nobuko Hamaguchi, 1996 .

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

Nohad Gresh, Lee G. Pedersen, Gilles Tiraboschi, 2000, J. Comput. Chem..

Molecular Dynamics: Techniques and Applications to Proteins

Lee G. Pedersen, T. Darden, L. Pedersen, 2002 .

Construction and molecular modeling of phospholipid surfaces

Lee G. Pedersen, P. Charifson, R. Hiskey, 1990 .

Problems and Solutions in Quantum Chemistry and Physics

Lee G. Pedersen, Charles S. Johnson, L. Pedersen, 1974 .

Long-range electrostatic effects in biomolecular simulations

Lee G. Pedersen, Abdulnour Toukmaji, T. Darden, 1997 .

Long range nonbonded attractive constants for some charged atoms

Libero J. Bartolotti, Lee G. Pedersen, Paul S. Charifson, 1991 .

Models for protein–zinc ion binding sites. II. The catalytic sites*

Lee G. Pedersen, Charles W. Carter, David W. Deerfield, 2001 .

Polychlorinated dibenzofuran (PCDF) binding to the Ah receptor(s) and associated enzyme induction. Theoretical model based on molecular parameters

Lee G. Pedersen, J. D. McKinney, L. Pedersen, 1987 .