Virshup AM - Search Results

1

Skourtis SS, Liu C, Antoniou P, Virshup AM, Beratan DN. Skourtis SS, et al. Among authors: virshup am. Proc Natl Acad Sci U S A. 2016 Jul 19;113(29):8115-20. doi: 10.1073/pnas.1517189113. Epub 2016 Jul 5. Proc Natl Acad Sci U S A. 2016. PMID: 27382185 Free PMC article.

2

Strategy to discover diverse optimal molecules in the small molecule universe.

Rupakheti C, Virshup A, Yang W, Beratan DN. Rupakheti C, et al. J Chem Inf Model. 2015 Mar 23;55(3):529-37. doi: 10.1021/ci500749q. Epub 2015 Feb 19. J Chem Inf Model. 2015. PMID: 25594586 Free PMC article.

We take a stochastic approach and extend the ACSESS framework ( Virshup et al. J. Am. Chem. Soc. 2013 , 135 , 7296 - 7303 ) to develop diversity oriented molecular libraries that can generate a set of compounds that is representative of the small molecule universe a …

We take a stochastic approach and extend the ACSESS framework ( Virshup et al. J. Am. Chem. Soc. 2013 , 135 , 7296 - 7303 ) to …

3

Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds.

Virshup AM, Contreras-García J, Wipf P, Yang W, Beratan DN. Virshup AM, et al. J Am Chem Soc. 2013 May 15;135(19):7296-303. doi: 10.1021/ja401184g. Epub 2013 May 2. J Am Chem Soc. 2013. PMID: 23548177 Free PMC article.

4

Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes.

Rupakheti C, Al-Saadon R, Zhang Y, Virshup AM, Zhang P, Yang W, Beratan DN. Rupakheti C, et al. Among authors: virshup am. J Chem Theory Comput. 2016 Apr 12;12(4):1942-52. doi: 10.1021/acs.jctc.5b00829. Epub 2016 Mar 28. J Chem Theory Comput. 2016. PMID: 26950518

5

Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones.

Hammill JT, Contreras-García J, Virshup AM, Beratan D, Yang W, Wipf P. Hammill JT, et al. Among authors: virshup am. Tetrahedron. 2010 Mar 31;66(31):5852-5862. doi: 10.1016/j.tet.2010.04.112. Tetrahedron. 2010. PMID: 20798897 Free PMC article.

6

Nonlinear dimensionality reduction for nonadiabatic dynamics: the influence of conical intersection topography on population transfer rates.

Virshup AM, Chen J, Martínez TJ. Virshup AM, et al. J Chem Phys. 2012 Dec 14;137(22):22A519. doi: 10.1063/1.4742066. J Chem Phys. 2012. PMID: 23249056

7

First principles dynamics and minimum energy pathways for mechanochemical ring opening of cyclobutene.

Ong MT, Leiding J, Tao H, Virshup AM, Martínez TJ. Ong MT, et al. Among authors: virshup am. J Am Chem Soc. 2009 May 13;131(18):6377-9. doi: 10.1021/ja8095834. J Am Chem Soc. 2009. PMID: 19378993

8

Photodynamics in complex environments: ab initio multiple spawning quantum mechanical/molecular mechanical dynamics.

Virshup AM, Punwong C, Pogorelov TV, Lindquist BA, Ko C, Martínez TJ. Virshup AM, et al. J Phys Chem B. 2009 Mar 19;113(11):3280-91. doi: 10.1021/jp8073464. J Phys Chem B. 2009. PMID: 19090684

9

Coexistent rheumatoid arthritis and gout.

Virshup AM. Virshup AM. Arthritis Rheum. 1985 Feb;28(2):238. doi: 10.1002/art.1780280228. Arthritis Rheum. 1985. PMID: 3970742 No abstract available.

10

Long-term double-blind comparison of fenbufen with aspirin in the treatment of rheumatoid arthritis.

Roth SH, Cryan WS, Harris BK, Klipper AR, Kolodny LA, Rochmis PG, Schwartz HA, Virshup AM. Roth SH, et al. Among authors: virshup am. Pharmacology. 1982;25 Suppl 1:63-72. doi: 10.1159/000137780. Pharmacology. 1982. PMID: 7111385 No abstract available.

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