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Thomas A. Halgren

Schrödinger

52

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Integrated Modeling Program, Applied Chemical Theory (IMPACT)

2005 Journal of Computational Chemistry
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A Brief History of Glide: A New Paradigm for Docking and Scoring in Virtual Screening

2005
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Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests

2002 Journal of Computational Chemistry
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Polarizable force fields.

2001 Current Opinion in Structural Biology
- Thomas A. Halgren
- Wolfgang Damm
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Kinetics and Equilibrium Constants for Reactions of α-Phenyl-Substituted Cyclopropylcarbinyl Radicals

2000 Journal of the American Chemical Society
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ACCURATE AB INITIO QUANTUM CHEMICAL DETERMINATION OF THE RELATIVE ENERGETICS OF PEPTIDE CONFORMATIONS AND ASSESSMENT OF EMPIRICAL FORCE FIELDS

1997 Journal of the American Chemical Society
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Maximally diagonal force constants in dependent angle-bending coordinates. II. Implications for the design of empirical force fields

1990 Journal of the American Chemical Society
- Thomas A. Halgren
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(1,3)-Sigmatropic shifts of allylamine and allylborane. Flexible models for possible pseudopericyclic reactions

1981 Journal of Organic Chemistry
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(1,3)-Sigmatropic shifts of allylamine and allylborane. Flexible models for possible pseudopericyclic reactions

1981 Journal of Organic Chemistry
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Organo-sulfur mechanisms. 11. [1,3]-Sigmatropic shifts for 5-X-bicyclo[2.1.0]pent-2-enes. An evaluation of the pseudopericyclic model

1980 Journal of the American Chemical Society
- James P. Snyder
- Thomas A. Halgren
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