Case DA - Search Results

1

Development and testing of a general amber force field.

Wang J, Wolf RM, Caldwell JW, Kollman PA, Case DA. Wang J, et al. Among authors: case da. J Comput Chem. 2004 Jul 15;25(9):1157-74. doi: 10.1002/jcc.20035. J Comput Chem. 2004. PMID: 15116359

2

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

3

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

4

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

5

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

6

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

7

Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures.

Feig M, Onufriev A, Lee MS, Im W, Case DA, Brooks CL 3rd. Feig M, et al. Among authors: case da. J Comput Chem. 2004 Jan 30;25(2):265-84. doi: 10.1002/jcc.10378. J Comput Chem. 2004. PMID: 14648625

8

The Amber biomolecular simulation programs.

Case DA, Cheatham TE 3rd, Darden T, Gohlke H, Luo R, Merz KM Jr, Onufriev A, Simmerling C, Wang B, Woods RJ. Case DA, et al. J Comput Chem. 2005 Dec;26(16):1668-88. doi: 10.1002/jcc.20290. J Comput Chem. 2005. PMID: 16200636 Free PMC article.

9

Automatic atom type and bond type perception in molecular mechanical calculations.

Wang J, Wang W, Kollman PA, Case DA. Wang J, et al. Among authors: case da. J Mol Graph Model. 2006 Oct;25(2):247-60. doi: 10.1016/j.jmgm.2005.12.005. Epub 2006 Feb 3. J Mol Graph Model. 2006. PMID: 16458552

10

An all atom force field for simulations of proteins and nucleic acids.

Weiner SJ, Kollman PA, Nguyen DT, Case DA. Weiner SJ, et al. Among authors: case da. J Comput Chem. 1986 Apr;7(2):230-252. doi: 10.1002/jcc.540070216. J Comput Chem. 1986. PMID: 29160584 No abstract available.

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