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The last 5 uploaded publications
An Extended Linear Response Method for Determining Free Energies of Hydration
Heather A. Carlson, William L. Jorgensen (1995). An Extended Linear Response Method for Determining Free Energies of Hydration. The Journal of Physical Chemistry, 99(26), pp. 10667-10673, DOI: 10.1021/j100026a034.
Article385 days agoDeveloping a Dynamic Pharmacophore Model for HIV-1 Integrase
Heather A. Carlson, Kevin M. Masukawa, Kathleen Rubins, Fredric Bushman, William L. Jorgensen, Roberto D. Lins, James M. Briggs, J. Andrew McCammon (2000). Developing a Dynamic Pharmacophore Model for HIV-1 Integrase. Journal of Medicinal Chemistry, 43(11), pp. 2100-2114, DOI: 10.1021/jm990322h.
Article385 days agoAccuracy of free energies of hydration for organic molecules from 6‐31g*‐derived partial charges
Heather A. Carlson, Toan B. Nguyen, Modesto Orozco, William L. Jorgensen (1993). Accuracy of free energies of hydration for organic molecules from 6‐31g*‐derived partial charges. Journal of Computational Chemistry, 14(10), pp. 1240-1249, DOI: 10.1002/jcc.540141013.
Article385 days agoFree energies of solvation in chloroform and water from a linear response approach
Nora A. McDonald, Heather A. Carlson, William L. Jorgensen (1997). Free energies of solvation in chloroform and water from a linear response approach. Journal of Physical Organic Chemistry, 10(7), pp. 563-576, DOI: 10.1002/(sici)1099-1395(199707)10:7<563::aid-poc912>3.0.co;2-0.
Article385 days agoMonte Carlo Investigations of Solvent Effects on the Chorismate to Prephenate Rearrangement
Heather A. Carlson, William L. Jorgensen (1996). Monte Carlo Investigations of Solvent Effects on the Chorismate to Prephenate Rearrangement. Journal of the American Chemical Society, 118(35), pp. 8475-8484, DOI: 10.1021/ja961500o.
Article385 days ago