Dill KA - Search Results

1

The Confine-and-Release Method: Obtaining Correct Binding Free Energies in the Presence of Protein Conformational Change.

Mobley DL, Chodera JD, Dill KA. Mobley DL, et al. Among authors: dill ka. J Chem Theory Comput. 2007;3(4):1231-1235. doi: 10.1021/ct700032n. J Chem Theory Comput. 2007. PMID: 18843379 Free PMC article.

2

MOPED: method for optimizing physical energy parameters using decoys.

Seok C, Rosen JB, Chodera JD, Dill KA. Seok C, et al. Among authors: dill ka. J Comput Chem. 2003 Jan 15;24(1):89-97. doi: 10.1002/jcc.10124. J Comput Chem. 2003. PMID: 12483678

3

On the use of orientational restraints and symmetry corrections in alchemical free energy calculations.

Mobley DL, Chodera JD, Dill KA. Mobley DL, et al. Among authors: dill ka. J Chem Phys. 2006 Aug 28;125(8):084902. doi: 10.1063/1.2221683. J Chem Phys. 2006. PMID: 16965052 Free PMC article.

4

Comparison of charge models for fixed-charge force fields: small-molecule hydration free energies in explicit solvent.

Mobley DL, Dumont E, Chodera JD, Dill KA. Mobley DL, et al. Among authors: dill ka. J Phys Chem B. 2007 Mar 8;111(9):2242-54. doi: 10.1021/jp0667442. Epub 2007 Feb 10. J Phys Chem B. 2007. PMID: 17291029

5

Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics.

Chodera JD, Singhal N, Pande VS, Dill KA, Swope WC. Chodera JD, et al. Among authors: dill ka. J Chem Phys. 2007 Apr 21;126(15):155101. doi: 10.1063/1.2714538. J Chem Phys. 2007. PMID: 17461665

6

The protein folding problem: when will it be solved?

Dill KA, Ozkan SB, Weikl TR, Chodera JD, Voelz VA. Dill KA, et al. Curr Opin Struct Biol. 2007 Jun;17(3):342-6. doi: 10.1016/j.sbi.2007.06.001. Epub 2007 Jun 14. Curr Opin Struct Biol. 2007. PMID: 17572080 Review.

7

Predicting absolute ligand binding free energies to a simple model site.

Mobley DL, Graves AP, Chodera JD, McReynolds AC, Shoichet BK, Dill KA. Mobley DL, et al. Among authors: dill ka. J Mol Biol. 2007 Aug 24;371(4):1118-34. doi: 10.1016/j.jmb.2007.06.002. Epub 2007 Jun 8. J Mol Biol. 2007. PMID: 17599350 Free PMC article.

8

Protein folding by zipping and assembly.

Ozkan SB, Wu GA, Chodera JD, Dill KA. Ozkan SB, et al. Among authors: dill ka. Proc Natl Acad Sci U S A. 2007 Jul 17;104(29):11987-92. doi: 10.1073/pnas.0703700104. Epub 2007 Jul 9. Proc Natl Acad Sci U S A. 2007. PMID: 17620603 Free PMC article.

9

Treating entropy and conformational changes in implicit solvent simulations of small molecules.

Mobley DL, Dill KA, Chodera JD. Mobley DL, et al. Among authors: dill ka. J Phys Chem B. 2008 Jan 24;112(3):938-46. doi: 10.1021/jp0764384. Epub 2008 Jan 3. J Phys Chem B. 2008. PMID: 18171044 Free PMC article.

10

Charge asymmetries in hydration of polar solutes.

Mobley DL, Baker JR, Barber AE 2nd, Fennell CJ, Dill KA. Mobley DL, et al. Among authors: dill ka. J Phys Chem B. 2008 Feb 28;112(8):2405-14. doi: 10.1021/jp709958f. Epub 2008 Feb 6. J Phys Chem B. 2008. PMID: 18251538 Free PMC article.

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