Case DA - Search Results

1

Free energy calculations for theophylline binding to an RNA aptamer: Comparison of MM-PBSA and thermodynamic integration methods.

Gouda H, Kuntz ID, Case DA, Kollman PA. Gouda H, et al. Among authors: case da. Biopolymers. 2003 Jan;68(1):16-34. doi: 10.1002/bip.10270. Biopolymers. 2003. PMID: 12579577

2

Unfolding of an alpha-helix in water.

Soman KV, Karimi A, Case DA. Soman KV, et al. Among authors: case da. Biopolymers. 1991 Oct 15;31(12):1351-61. doi: 10.1002/bip.360311202. Biopolymers. 1991. PMID: 1816873

3

A combined 2D-NMR and molecular dynamics analysis of the structure of the actinomycin D: d(ATGCAT)2 complex.

Creighton S, Rudolph B, Lybrand T, Singh UC, Shafer R, Brown S, Kollman P, Case DA, Andrea T. Creighton S, et al. Among authors: case da. J Biomol Struct Dyn. 1989 Apr;6(5):929-69. doi: 10.1080/07391102.1989.10506524. J Biomol Struct Dyn. 1989. PMID: 2590510

4

Computational studies of the interaction of myoglobin and xenon.

Tilton RF Jr, Singh UC, Weiner SJ, Connolly ML, Kuntz ID Jr, Kollman PA, Max N, Case DA. Tilton RF Jr, et al. Among authors: case da. J Mol Biol. 1986 Nov 20;192(2):443-56. doi: 10.1016/0022-2836(86)90374-8. J Mol Biol. 1986. PMID: 3560222

5

Molecular dynamics and continuum solvent studies of the stability of polyG-polyC and polyA-polyT DNA duplexes in solution.

Cheatham TE 3rd, Srinivasan J, Case DA, Kollman PA. Cheatham TE 3rd, et al. Among authors: case da. J Biomol Struct Dyn. 1998 Oct;16(2):265-80. doi: 10.1080/07391102.1998.10508245. J Biomol Struct Dyn. 1998. PMID: 9833666

6

Continuum solvent studies of the stability of RNA hairpin loops and helices.

Srinivasan J, Miller J, Kollman PA, Case DA. Srinivasan J, et al. Among authors: case da. J Biomol Struct Dyn. 1998 Dec;16(3):671-82. doi: 10.1080/07391102.1998.10508279. J Biomol Struct Dyn. 1998. PMID: 10052623

7

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models.

Kollman PA, Massova I, Reyes C, Kuhn B, Huo S, Chong L, Lee M, Lee T, Duan Y, Wang W, Donini O, Cieplak P, Srinivasan J, Case DA, Cheatham TE 3rd. Kollman PA, et al. Among authors: case da. Acc Chem Res. 2000 Dec;33(12):889-97. doi: 10.1021/ar000033j. Acc Chem Res. 2000. PMID: 11123888

8

Peter Andrew Kollman.

Kuntz ID, Case DA. Kuntz ID, et al. Among authors: case da. Proteins. 2001 Oct 1;45(1):2-3. doi: 10.1002/prot.1117. Proteins. 2001. PMID: 11536354 No abstract available.

9

Theory and applications of the generalized Born solvation model in macromolecular simulations.

Tsui V, Case DA. Tsui V, et al. Among authors: case da. Biopolymers. 2000-2001;56(4):275-91. doi: 10.1002/1097-0282(2000)56:4<275::AID-BIP10024>3.0.CO;2-E. Biopolymers. 2000. PMID: 11754341

10

Probing multiple effects on 15N, 13C alpha, 13C beta, and 13C' chemical shifts in peptides using density functional theory.

Xu XP, Case DA. Xu XP, et al. Among authors: case da. Biopolymers. 2002 Dec 15;65(6):408-23. doi: 10.1002/bip.10276. Biopolymers. 2002. PMID: 12434429

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