Kollman PA - Search Results

1

Protein-ligand dynamics. A 96 picosecond simulation of a myoglobin-xenon complex.

Tilton RF Jr, Singh UC, Kuntz ID Jr, Kollman PA. Tilton RF Jr, et al. Among authors: kollman pa. J Mol Biol. 1988 Jan 5;199(1):195-211. doi: 10.1016/0022-2836(88)90389-0. J Mol Biol. 1988. PMID: 3351919

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: kollman pa. 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

Calculation of protein tertiary structure.

Kuntz ID, Crippen GM, Kollman PA, Kimelman D. Kuntz ID, et al. Among authors: kollman pa. J Mol Biol. 1976 Oct 5;106(4):983-94. doi: 10.1016/0022-2836(76)90347-8. J Mol Biol. 1976. PMID: 978745 No abstract available.

4

Investigation of neuraminidase-substrate recognition using molecular dynamics and free energy calculations.

Masukawa KM, Kollman PA, Kuntz ID. Masukawa KM, et al. Among authors: kollman pa. J Med Chem. 2003 Dec 18;46(26):5628-37. doi: 10.1021/jm030060q. J Med Chem. 2003. PMID: 14667217

5

A molecular dynamics simulation of polyalanine: an analysis of equilibrium motions and helix-coil transitions.

Daggett V, Kollman PA, Kuntz ID. Daggett V, et al. Among authors: kollman pa. Biopolymers. 1991 Aug;31(9):1115-34. doi: 10.1002/bip.360310911. Biopolymers. 1991. PMID: 1786342

6

A molecular dynamics simulation of double-helical B-DNA including counterions and water.

Seibel GL, Singh UC, Kollman PA. Seibel GL, et al. Among authors: kollman pa. Proc Natl Acad Sci U S A. 1985 Oct;82(19):6537-40. doi: 10.1073/pnas.82.19.6537. Proc Natl Acad Sci U S A. 1985. PMID: 3863112 Free PMC article.

7

A diffusion--collision--adhesion model for the kinetics of myoglobin refolding.

Cohen FE, Sternberg MJ, Phillips DC, Kuntz ID, Kollman PA. Cohen FE, et al. Among authors: kollman pa. Nature. 1980 Aug 7;286(5773):632-4. doi: 10.1038/286632a0. Nature. 1980. PMID: 7402344

8

Molecular dynamics simulations of small peptides: dependence on dielectric model and pH.

Daggett V, Kollman PA, Kuntz ID. Daggett V, et al. Among authors: kollman pa. Biopolymers. 1991 Feb 15;31(3):285-304. doi: 10.1002/bip.360310304. Biopolymers. 1991. PMID: 1868159

9

Molecular dynamics simulations of d(C-G-C-G-A) X d(T-C-G-C-G) with and without "hydrated" counterions.

Singh UC, Weiner SJ, Kollman P. Singh UC, et al. Proc Natl Acad Sci U S A. 1985 Feb;82(3):755-9. doi: 10.1073/pnas.82.3.755. Proc Natl Acad Sci U S A. 1985. PMID: 3856228 Free PMC article.

10

Flexible ligand docking: a multistep strategy approach.

Wang J, Kollman PA, Kuntz ID. Wang J, et al. Among authors: kollman pa. Proteins. 1999 Jul 1;36(1):1-19. Proteins. 1999. PMID: 10373002

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