Price SL - Search Results

1

Toward Physics-Based Solubility Computation for Pharmaceuticals to Rival Informatics.

Fowles DJ, Palmer DS, Guo R, Price SL, Mitchell JBO. Fowles DJ, et al. Among authors: price sl. J Chem Theory Comput. 2021 Jun 8;17(6):3700-3709. doi: 10.1021/acs.jctc.1c00130. Epub 2021 May 14. J Chem Theory Comput. 2021. PMID: 33988381 Free PMC article.

2

Towards an understanding of the arginine-aspartate interaction.

Mitchell JB, Thornton JM, Singh J, Price SL. Mitchell JB, et al. Among authors: price sl. J Mol Biol. 1992 Jul 5;226(1):251-62. doi: 10.1016/0022-2836(92)90137-9. J Mol Biol. 1992. PMID: 1619654

3

Amino/aromatic interactions in proteins: is the evidence stacked against hydrogen bonding?

Mitchell JB, Nandi CL, McDonald IK, Thornton JM, Price SL. Mitchell JB, et al. Among authors: price sl. J Mol Biol. 1994 Jun 3;239(2):315-31. doi: 10.1006/jmbi.1994.1370. J Mol Biol. 1994. PMID: 8196060

4

Electrostatic factors in DNA intercalation.

Medhi C, Mitchell JB, Price SL, Tabor AB. Medhi C, et al. Among authors: price sl. Biopolymers. 1999;52(2):84-93. doi: 10.1002/1097-0282(1999)52:2<84::AID-BIP2>3.0.CO;2-S. Biopolymers. 1999. PMID: 10898854

5

Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs.

Karamertzanis PG, Day GM, Welch GW, Kendrick J, Leusen FJ, Neumann MA, Price SL. Karamertzanis PG, et al. Among authors: price sl. J Chem Phys. 2008 Jun 28;128(24):244708. doi: 10.1063/1.2937446. J Chem Phys. 2008. PMID: 18601366

6

Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals.

Uzoh OG, Galek PT, Price SL. Uzoh OG, et al. Among authors: price sl. Phys Chem Chem Phys. 2015 Mar 28;17(12):7936-48. doi: 10.1039/c4cp05525j. Phys Chem Chem Phys. 2015. PMID: 25720865 Free article.

7

Testing a Variety of Electronic-Structure-Based Methods for the Relative Energies of 5-Formyluracil Crystals.

Habgood M, Price SL, Portalone G, Irrera S. Habgood M, et al. Among authors: price sl. J Chem Theory Comput. 2011 Sep 13;7(9):2685-8. doi: 10.1021/ct200354t. Epub 2011 Jul 27. J Chem Theory Comput. 2011. PMID: 26605460

8

Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction.

Karamertzanis PG, Kazantsev AV, Issa N, Welch GW, Adjiman CS, Pantelides CC, Price SL. Karamertzanis PG, et al. Among authors: price sl. J Chem Theory Comput. 2009 May 12;5(5):1432-48. doi: 10.1021/ct8004326. J Chem Theory Comput. 2009. PMID: 26609729

9

Accurate Induction Energies for Small Organic Molecules. 2. Development and Testing of Distributed Polarizability Models against SAPT(DFT) Energies.

Misquitta AJ, Stone AJ, Price SL. Misquitta AJ, et al. Among authors: price sl. J Chem Theory Comput. 2008 Jan;4(1):19-32. doi: 10.1021/ct700105f. J Chem Theory Comput. 2008. PMID: 26619976

10

Is the Induction Energy Important for Modeling Organic Crystals?

Welch GW, Karamertzanis PG, Misquitta AJ, Stone AJ, Price SL. Welch GW, et al. Among authors: price sl. J Chem Theory Comput. 2008 Mar;4(3):522-32. doi: 10.1021/ct700270d. J Chem Theory Comput. 2008. PMID: 26620792

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