Lee G. Pedersen

11 papers Journal 9Unranked 2
YearRankTypeTitle / Venue / Authors
2012 J jnl
HPAM: Hirshfeld partitioned atomic multipoles.
Comput. Phys. Commun.
Dennis M. Elking, Lalith E. Perera, Lee G. Pedersen
2011 J jnl
A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank.
J. Comput. Chem.
Dennis M. Elking, Lalith E. Perera, Robert E. Duke, Thomas A. Darden, Lee G. Pedersen
2010 J jnl
Atomic forces for geometry-dependent point multipole and Gaussian multipole models.
J. Comput. Chem.
Dennis M. Elking, Lalith E. Perera, Robert E. Duke, Thomas A. Darden, Lee G. Pedersen
2009 — conf
Free Energy Correction to Rigid Body Docking : Application to the Colicin E7 and Im7 Complex.
ICCS (2)
Sangwook Wu, Vasu Chandrasekaran, Lee G. Pedersen
2002 J jnl
Predicted solution structure of zymogen human coagulation FVII.
J. Comput. Chem.
Lalith E. Perera, Thomas A. Darden, Lee G. Pedersen
2001 J jnl
Gene selection for sample classification based on gene expression data: study of sensitivity to choice of parameters of the GA/KNN method.
Bioinform.
Leping Li, Clarice R. Weinberg, Thomas A. Darden, Lee G. Pedersen
2000 J jnl
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.
Gilles Tiraboschi, Nohad Gresh, Claude Giessner-Prettre, Lee G. Pedersen, David W. Deerfield
2000 J jnl
Quantum mechanical calculations on phosphate hydrolysis reactions.
J. Comput. Chem.
Jose M. Mercero, Paul Barrett, Cheuk W. Lam, Joseph E. Fowler, Jesus M. Ugalde, Lee G. Pedersen
1997 — conf
Particle-Mesh Based Methods for Fast Ewald Summation in Molecular Dynamics Simulations.
PP
Thomas A. Darden, Lee G. Pedersen, Abdulnour Y. Toukmaji, Michael F. Crowley, Thomas E. Cheatham
1994 J jnl
Simulations of the Solution Structure of HIV-1 Protease in the Presence and Absence of Bound Zinc.
J. Comput. Chem.
Darrin M. York, Lee J. Bartolotti, Thomas A. Darden, Lee G. Pedersen, M. W. Anderson
1977 J jnl
Molecular fragment transfer in ab initio calculations.
Comput. Chem.
Lee G. Pedersen, G. L. Carison