Friesner RA - Search Results

1

Ligand binding to protein-binding pockets with wet and dry regions.

Wang L, Berne BJ, Friesner RA. Wang L, et al. Among authors: friesner ra. Proc Natl Acad Sci U S A. 2011 Jan 25;108(4):1326-30. doi: 10.1073/pnas.1016793108. Epub 2011 Jan 4. Proc Natl Acad Sci U S A. 2011. PMID: 21205906 Free PMC article.

In addition, WaterMap when combined with the cavity contribution is more predictive than at least one specific implementation [Abel R, Young T, Farid R, Berne BJ, Friesner RA (2008) J Am Chem Soc 130:2817-2831] of the popular MM-GBSA approach to binding affinity cal …

In addition, WaterMap when combined with the cavity contribution is more predictive than at least one specific implementation [Abel R, Young …

2

An algorithm to generate low-resolution protein tertiary structures from knowledge of secondary structure.

Monge A, Friesner RA, Honig B. Monge A, et al. Among authors: friesner ra. Proc Natl Acad Sci U S A. 1994 May 24;91(11):5027-9. doi: 10.1073/pnas.91.11.5027. Proc Natl Acad Sci U S A. 1994. PMID: 8197177 Free PMC article.

3

Ab initio calculation of electronic coupling in the photosynthetic reaction center.

Zhang LY, Friesner RA. Zhang LY, et al. Among authors: friesner ra. Proc Natl Acad Sci U S A. 1998 Nov 10;95(23):13603-5. doi: 10.1073/pnas.95.23.13603. Proc Natl Acad Sci U S A. 1998. PMID: 9811846 Free PMC article.

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

Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450.

Guallar V, Baik MH, Lippard SJ, Friesner RA. Guallar V, et al. Among authors: friesner ra. Proc Natl Acad Sci U S A. 2003 Jun 10;100(12):6998-7002. doi: 10.1073/pnas.0732000100. Epub 2003 May 27. Proc Natl Acad Sci U S A. 2003. PMID: 12771375 Free PMC article.

6

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.

7

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.

8

Computational prediction of native protein ligand-binding and enzyme active site sequences.

Chakrabarti R, Klibanov AM, Friesner RA. Chakrabarti R, et al. Among authors: friesner ra. Proc Natl Acad Sci U S A. 2005 Jul 19;102(29):10153-8. doi: 10.1073/pnas.0504023102. Epub 2005 Jul 5. Proc Natl Acad Sci U S A. 2005. PMID: 15998733 Free PMC article.

9

Sequence optimization and designability of enzyme active sites.

Chakrabarti R, Klibanov AM, Friesner RA. Chakrabarti R, et al. Among authors: friesner ra. Proc Natl Acad Sci U S A. 2005 Aug 23;102(34):12035-40. doi: 10.1073/pnas.0505397102. Epub 2005 Aug 15. Proc Natl Acad Sci U S A. 2005. PMID: 16103370 Free PMC article.

10

Replica exchange with solute tempering: a method for sampling biological systems in explicit water.

Liu P, Kim B, Friesner RA, Berne BJ. Liu P, et al. Among authors: friesner ra. Proc Natl Acad Sci U S A. 2005 Sep 27;102(39):13749-54. doi: 10.1073/pnas.0506346102. Epub 2005 Sep 19. Proc Natl Acad Sci U S A. 2005. PMID: 16172406 Free PMC article.

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