Thomas A. Halgren

2005
11	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)
2002
10	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)
1999
9	EE	Bruce L. Bush, Christopher I. Bayly, Thomas A. Halgren: Consensus bond-charge increments fitted to electrostatic potential or field of many compounds: Application to MMFF94 training set. Journal of Computational Chemistry 20(14): 1495-1516 (1999)
8	EE	Thomas A. Halgren: MMFF VI. MMFF94s option for energy minimization studies. Journal of Computational Chemistry 20(7): 720-729 (1999)
7	EE	Thomas A. Halgren: MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interaction energies and geometries. Journal of Computational Chemistry 20(7): 730-748 (1999)
1996
6	EE	Thomas A. Halgren: Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. Journal of Computational Chemistry 17(5-6): 490-519 (1996)
5	EE	Thomas A. Halgren: Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular. interactions. Journal of Computational Chemistry 17(5-6): 520-552 (1996)
4	EE	Thomas A. Halgren: Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94. Journal of Computational Chemistry 17(5-6): 553-586 (1996)
3	EE	Thomas A. Halgren, Robert B. Nachbar: Merck molecular force field. IV. conformational energies and geometries for MMFF94. Journal of Computational Chemistry 17(5-6): 587-615 (1996)
2	EE	Thomas A. Halgren: Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules. Journal of Computational Chemistry 17(5-6): 616-641 (1996)
1995
1		Alain St.-Amant, Wendy D. Cornell, Peter A. Kollman, Thomas A. Halgren: Calculation of Molecular Geometries, Relative Conformational Energies, Dipole Moments, and Molecular Electrostatic Potential Fitted Charges of Small Organic Molecules of Biochemical Interest by Density Function Theory. Journal of Computational Chemistry 16(12): 1483-1506 (1995)

Coauthor Index

1	Jay L. Banks	[11]
2	Christopher I. Bayly	[9]
3	Hege S. Beard	[11]
4	Bruce J. Berne	[10] [11]
5	Bruce L. Bush	[9]
6	Yixiang X. Cao	[10] [11]
7	Art E. Cho	[11]
8	Wendy D. Cornell	[1]
9	Wolfgang Damm	[11]
10	Ramy Farid	[11]
11	Anthony K. Felts	[11]
12	Richard A. Friesner	[10] [11]
13	Emilio Gallicchio	[11]
14	George A. Kaminski	[10]
15	Peter A. Kollman	[1]
16	Ronald M. Levy	[11]
17	Daniel T. Mainz	[11]
18	Jon R. Maple	[11]
19	Robert B. Murphy	[10] [11]
20	Robert B. Nachbar	[3]
21	Dean M. Philipp	[11]
22	Matthew P. Repasky	[11]
23	Alain St.-Amant	[1]
24	Harry A. Stern	[10]
25	Linda Yu Zhang	[11]
26	Ruhong Zhou	[10]

Colors in the list of coauthors