2006 |
13 | EE | Zhiyun Yu,
Matthew P. Jacobson,
Richard A. Friesner:
What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomolecules.
Journal of Computational Chemistry 27(1): 72-89 (2006) |
2005 |
12 | EE | Jay L. Banks,
Hege S. Beard,
Yixiang X. Cao,
Art E. Cho,
Wolfgang Damm,
Ramy Farid,
Anthony K. Felts,
Thomas A. Halgren,
Daniel T. Mainz,
Jon R. Maple,
Robert B. Murphy,
Dean M. Philipp,
Matthew P. Repasky,
Linda Yu Zhang,
Bruce J. Berne,
Richard A. Friesner,
Emilio Gallicchio,
Ronald M. Levy:
Integrated Modeling Program, Applied Chemical Theory (IMPACT).
Journal of Computational Chemistry 26(16): 1752-1780 (2005) |
11 | EE | Art E. Cho,
Victor Guallar,
Bruce J. Berne,
Richard A. Friesner:
Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach.
Journal of Computational Chemistry 26(9): 915-931 (2005) |
2003 |
10 | EE | George A. Kaminski,
Richard A. Friesner,
Ruhong Zhou:
A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations.
Journal of Computational Chemistry 24(3): 267-276 (2003) |
2002 |
9 | EE | George A. Kaminski,
Harry A. Stern,
Bruce J. Berne,
Richard A. Friesner,
Yixiang X. Cao,
Robert B. Murphy,
Ruhong Zhou,
Thomas A. Halgren:
Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests.
Journal of Computational Chemistry 23(16): 1515-1531 (2002) |
2001 |
8 | EE | Linda Yu Zhang,
Emilio Gallicchio,
Richard A. Friesner,
Ronald M. Levy:
Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations.
Journal of Computational Chemistry 22(6): 591-607 (2001) |
2000 |
7 | EE | Robert B. Murphy,
Dean M. Philipp,
Richard A. Friesner:
A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments.
Journal of Computational Chemistry 21(16): 1442-1457 (2000) |
1999 |
6 | EE | Dean M. Philipp,
Richard A. Friesner:
Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide.
Journal of Computational Chemistry 20(14): 1468-1494 (1999) |
1998 |
5 | EE | David Chasman,
Michael D. Beachy,
Limin Wang,
Richard A. Friesner:
Parallel pseudospectral electronic structure: I. Hartree-Fock calculations.
Journal of Computational Chemistry 19(9): 1017-1029 (1998) |
4 | EE | Michael D. Beachy,
David Chasman,
Richard A. Friesner,
Robert B. Murphy:
Parallel pseudospectral electronic structure: II. Localized Møller-Plesset calculations.
Journal of Computational Chemistry 19(9): 1030-1038 (1998) |
1997 |
3 | EE | Christian M. Cortis,
Richard A. Friesner:
An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation.
Journal of Computational Chemistry 18(13): 1570-1590 (1997) |
2 | EE | Christian M. Cortis,
Richard A. Friesner:
Numerical solution of the Poisson-Boltzmann equation using tetrahedral finite-element meshes.
Journal of Computational Chemistry 18(13): 1591-1608 (1997) |
1996 |
1 | EE | John R. Gunn,
Richard A. Friesner:
Parallel implementation of a protein structure refinement algorithm.
Journal of Computational Chemistry 17(10): 1217-1228 (1996) |