Friesner RA - Search Results

1

Quantum mechanical calculations on biological systems.

Friesner RA, Beachy MD. Friesner RA, et al. Curr Opin Struct Biol. 1998 Apr;8(2):257-62. doi: 10.1016/s0959-440x(98)80048-1. Curr Opin Struct Biol. 1998. PMID: 9631302 Free article. Review.

2

Large-scale ab initio quantum chemical calculations on biological systems.

Friesner RA, Dunietz BD. Friesner RA, et al. Acc Chem Res. 2001 May;34(5):351-8. doi: 10.1021/ar980111r. Acc Chem Res. 2001. PMID: 11352713

3

Quantum chemical studies of methane monooxygenase: comparision with P450.

Guallar V, Gherman BF, Lippard SJ, Friesner RA. Guallar V, et al. Among authors: friesner ra. Curr Opin Chem Biol. 2002 Apr;6(2):236-42. doi: 10.1016/s1367-5931(02)00310-1. Curr Opin Chem Biol. 2002. PMID: 12039010 Review.

4

Development of a polarizable force field for proteins via ab initio quantum chemistry: first generation model and gas phase tests.

Kaminski GA, Stern HA, Berne BJ, Friesner RA, Cao YX, Murphy RB, Zhou R, Halgren TA. Kaminski GA, et al. Among authors: friesner ra. J Comput Chem. 2002 Dec;23(16):1515-31. doi: 10.1002/jcc.10125. J Comput Chem. 2002. PMID: 12395421 Free PMC article.

5

Computational modeling of the catalytic reaction in triosephosphate isomerase.

Guallar V, Jacobson M, McDermott A, Friesner RA. Guallar V, et al. Among authors: friesner ra. J Mol Biol. 2004 Mar 12;337(1):227-39. doi: 10.1016/j.jmb.2003.11.016. J Mol Biol. 2004. PMID: 15001364

6

Cytochrome P450CAM enzymatic catalysis cycle: a quantum mechanics/molecular mechanics study.

Guallar V, Friesner RA. Guallar V, et al. Among authors: friesner ra. J Am Chem Soc. 2004 Jul 14;126(27):8501-8. doi: 10.1021/ja036123b. J Am Chem Soc. 2004. PMID: 15238007

7

Substrate hydroxylation in methane monooxygenase: quantitative modeling via mixed quantum mechanics/molecular mechanics techniques.

Gherman BF, Lippard SJ, Friesner RA. Gherman BF, et al. Among authors: friesner ra. J Am Chem Soc. 2005 Jan 26;127(3):1025-37. doi: 10.1021/ja049847b. J Am Chem Soc. 2005. PMID: 15656641

8

Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis.

Friesner RA, Guallar V. Friesner RA, et al. Annu Rev Phys Chem. 2005;56:389-427. doi: 10.1146/annurev.physchem.55.091602.094410. Annu Rev Phys Chem. 2005. PMID: 15796706 Review.

9

Importance of accurate charges in molecular docking: quantum mechanical/molecular mechanical (QM/MM) approach.

Cho AE, Guallar V, Berne BJ, Friesner R. Cho AE, et al. J Comput Chem. 2005 Jul 15;26(9):915-31. doi: 10.1002/jcc.20222. J Comput Chem. 2005. PMID: 15841474 Free PMC article.

10

Ab initio quantum chemistry: methodology and applications.

Friesner RA. Friesner RA. Proc Natl Acad Sci U S A. 2005 May 10;102(19):6648-53. doi: 10.1073/pnas.0408036102. Epub 2005 May 3. Proc Natl Acad Sci U S A. 2005. PMID: 15870212 Free PMC article.

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