Brooks BR - Search Results

1

Catalytic mechanism of aldose reductase studied by the combined potentials of quantum mechanics and molecular mechanics.

Lee YS, Hodoscek M, Brooks BR, Kador PF. Lee YS, et al. Among authors: brooks br. Biophys Chem. 1998 Mar 9;70(3):203-16. doi: 10.1016/s0301-4622(97)00115-4. Biophys Chem. 1998. PMID: 9546197

2

Simulations of membranes and other interfacial systems using P2(1) and Pc periodic boundary conditions.

Dolan EA, Venable RM, Pastor RW, Brooks BR. Dolan EA, et al. Among authors: brooks br. Biophys J. 2002 May;82(5):2317-25. doi: 10.1016/S0006-3495(02)75577-X. Biophys J. 2002. PMID: 11964222 Free PMC article.

3

Annealing function of GroEL: structural and bioinformatic analysis.

Stan G, Thirumalai D, Lorimer GH, Brooks BR. Stan G, et al. Among authors: brooks br. Biophys Chem. 2003;100(1-3):453-67. doi: 10.1016/s0301-4622(02)00298-3. Biophys Chem. 2003. PMID: 12646383

4

Beta-hairpin folding mechanism of a nine-residue peptide revealed from molecular dynamics simulations in explicit water.

Wu X, Brooks BR. Wu X, et al. Among authors: brooks br. Biophys J. 2004 Apr;86(4):1946-58. doi: 10.1016/S0006-3495(04)74258-7. Biophys J. 2004. PMID: 15041639 Free PMC article.

5

Probing the local dynamics of nucleotide-binding pocket coupled to the global dynamics: myosin versus kinesin.

Zheng W, Brooks BR. Zheng W, et al. Among authors: brooks br. Biophys J. 2005 Jul;89(1):167-78. doi: 10.1529/biophysj.105.063305. Epub 2005 May 6. Biophys J. 2005. PMID: 15879477 Free PMC article.

6

Simulation-based methods for interpreting x-ray data from lipid bilayers.

Klauda JB, Kucerka N, Brooks BR, Pastor RW, Nagle JF. Klauda JB, et al. Among authors: brooks br. Biophys J. 2006 Apr 15;90(8):2796-807. doi: 10.1529/biophysj.105.075697. Epub 2006 Jan 27. Biophys J. 2006. PMID: 16443652 Free PMC article.

7

Modeling protein conformational changes by iterative fitting of distance constraints using reoriented normal modes.

Zheng W, Brooks BR. Zheng W, et al. Among authors: brooks br. Biophys J. 2006 Jun 15;90(12):4327-36. doi: 10.1529/biophysj.105.076836. Epub 2006 Mar 24. Biophys J. 2006. PMID: 16565046 Free PMC article.

8

Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations.

Woodcock HL 3rd, Hodošček M, Gilbert ATB, Gill PMW, Schaefer HF 3rd, Brooks BR. Woodcock HL 3rd, et al. Among authors: brooks br. J Comput Chem. 2007 Jul 15;28(9):1485-1502. doi: 10.1002/jcc.20587. J Comput Chem. 2007. PMID: 17334987

9

Ab initio modeling of glycosyl torsions and anomeric effects in a model carbohydrate: 2-ethoxy tetrahydropyran.

Woodcock HL, Moran D, Pastor RW, MacKerell AD Jr, Brooks BR. Woodcock HL, et al. Among authors: brooks br. Biophys J. 2007 Jul 1;93(1):1-10. doi: 10.1529/biophysj.106.099986. Biophys J. 2007. PMID: 17554075 Free PMC article.

10

Exploring SCC-DFTB paths for mapping QM/MM reaction mechanisms.

Woodcock HL, Hodoscek M, Brooks BR. Woodcock HL, et al. Among authors: brooks br. J Phys Chem A. 2007 Jul 5;111(26):5720-8. doi: 10.1021/jp0714217. Epub 2007 Jun 8. J Phys Chem A. 2007. PMID: 17555303

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