R01 GM052018-12/GM/NIGMS NIH HHS/United States[Grants and Funding] - Search Results

Year	Number of Results
2005	2
2006	1
2007	3
2008	5
2009	1
2010	1
2011	1
2024	0

1

Integrated Modeling Program, Applied Chemical Theory (IMPACT).

Banks JL, Beard HS, Cao Y, Cho AE, Damm W, Farid R, Felts AK, Halgren TA, Mainz DT, Maple JR, Murphy R, Philipp DM, Repasky MP, Zhang LY, Berne BJ, Friesner RA, Gallicchio E, Levy RM. Banks JL, et al. J Comput Chem. 2005 Dec;26(16):1752-80. doi: 10.1002/jcc.20292. J Comput Chem. 2005. PMID: 16211539 Free PMC article. Review.

2

Prediction of side-chain conformations on protein surfaces.

Xiang Z, Steinbach PJ, Jacobson MP, Friesner RA, Honig B. Xiang Z, et al. Proteins. 2007 Mar 1;66(4):814-23. doi: 10.1002/prot.21099. Proteins. 2007. PMID: 17206724 Free PMC article.

3

Progress in super long loop prediction.

Zhao S, Zhu K, Li J, Friesner RA. Zhao S, et al. Proteins. 2011 Oct;79(10):2920-35. doi: 10.1002/prot.23129. Epub 2011 Aug 23. Proteins. 2011. PMID: 21905115 Free PMC article.

4

Structural analysis of protein dynamics by MD simulations and NMR spin-relaxation.

Trbovic N, Kim B, Friesner RA, Palmer AG 3rd. Trbovic N, et al. Proteins. 2008 May 1;71(2):684-94. doi: 10.1002/prot.21750. Proteins. 2008. PMID: 17975832 Free PMC article.

5

Serial replica exchange.

Hagen M, Kim B, Liu P, Friesner RA, Berne BJ. Hagen M, et al. J Phys Chem B. 2007 Feb 15;111(6):1416-23. doi: 10.1021/jp064479e. Epub 2007 Jan 24. J Phys Chem B. 2007. PMID: 17249714 Free PMC article.

6

Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteins.

Maragakis P, Lindorff-Larsen K, Eastwood MP, Dror RO, Klepeis JL, Arkin IT, Jensen MØ, Xu H, Trbovic N, Friesner RA, Palmer AG III, Shaw DE. Maragakis P, et al. J Phys Chem B. 2008 May 15;112(19):6155-8. doi: 10.1021/jp077018h. Epub 2008 Mar 1. J Phys Chem B. 2008. PMID: 18311962 Free PMC article.

7

A displaced-solvent functional analysis of model hydrophobic enclosures.

Abel R, Wang L, Friesner RA, Berne BJ. Abel R, et al. J Chem Theory Comput. 2010 Aug 20;6(9):2924-2934. doi: 10.1021/ct100215c. J Chem Theory Comput. 2010. PMID: 21135914 Free PMC article.

8

Protein side-chain dynamics and residual conformational entropy.

Trbovic N, Cho JH, Abel R, Friesner RA, Rance M, Palmer AG 3rd. Trbovic N, et al. J Am Chem Soc. 2009 Jan 21;131(2):615-22. doi: 10.1021/ja806475k. J Am Chem Soc. 2009. PMID: 19105660 Free PMC article.

9

Role of the active-site solvent in the thermodynamics of factor Xa ligand binding.

Abel R, Young T, Farid R, Berne BJ, Friesner RA. Abel R, et al. J Am Chem Soc. 2008 Mar 5;130(9):2817-31. doi: 10.1021/ja0771033. Epub 2008 Feb 12. J Am Chem Soc. 2008. PMID: 18266362 Free PMC article.

10

Structure and dynamics of the solvation of bovine pancreatic trypsin inhibitor in explicit water: a comparative study of the effects of solvent and protein polarizability.

Kim B, Young T, Harder E, Friesner RA, Berne BJ. Kim B, et al. J Phys Chem B. 2005 Sep 1;109(34):16529-38. doi: 10.1021/jp051569v. J Phys Chem B. 2005. PMID: 16853101 Free PMC article.

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