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Items: 1 to 20 of 87

1.

The high-throughput highway to computational materials design.

Curtarolo S, Hart GL, Nardelli MB, Mingo N, Sanvito S, Levy O.

Nat Mater. 2013 Mar;12(3):191-201. doi: 10.1038/nmat3568.

PMID:
23422720
2.

Materials discovery via CALYPSO methodology.

Wang Y, Lv J, Zhu L, Lu S, Yin K, Li Q, Wang H, Zhang L, Ma Y.

J Phys Condens Matter. 2015 May 27;27(20):203203. doi: 10.1088/0953-8984/27/20/203203. Epub 2015 Apr 29.

PMID:
25921406
3.

Proceedings of the International Workshop on Current Challenges in Liquid and Glass Science, (The Cosener's House, Abingdon 10-12 January 2007).

Hannon AC, Salmon PS, Soper AK.

J Phys Condens Matter. 2007 Oct 17;19(41):410301. doi: 10.1088/0953-8984/19/41/410301.

PMID:
28192312
4.

High-throughput electronic biology: mining information for drug discovery.

Loging W, Harland L, Williams-Jones B.

Nat Rev Drug Discov. 2007 Mar;6(3):220-30. Review. Erratum in: Nat Rev Drug Discov. 2007 Jun;6(6):442.

PMID:
17330071
5.

Combinatorial solid-state chemistry of inorganic materials.

Koinuma H, Takeuchi I.

Nat Mater. 2004 Jul;3(7):429-38.

PMID:
15229491
6.

Recent progress in theoretical and computational investigations of Li-ion battery materials and electrolytes.

Bhatt MD, O'Dwyer C.

Phys Chem Chem Phys. 2015 Feb 21;17(7):4799-844. doi: 10.1039/c4cp05552g.

PMID:
25613366
7.

Computational polypharmacology with text mining and ontologies.

Plake C, Schroeder M.

Curr Pharm Biotechnol. 2011 Mar 1;12(3):449-57. Review.

PMID:
21133848
8.

Computational toxicology: realizing the promise of the toxicity testing in the 21st century.

Rusyn I, Daston GP.

Environ Health Perspect. 2010 Aug;118(8):1047-50. doi: 10.1289/ehp.1001925. Epub 2010 May 18.

9.

Data mining approaches to high-throughput crystal structure and compound prediction.

Hautier G.

Top Curr Chem. 2014;345:139-79. doi: 10.1007/128_2013_486.

PMID:
24287952
10.

PoPLAR: Portal for Petascale Lifescience Applications and Research.

Rekapalli B, Giblock P, Reardon C.

BMC Bioinformatics. 2013;14 Suppl 9:S3. doi: 10.1186/1471-2105-14-S9-S3. Epub 2013 Jun 28.

11.

Combinatorial and high-throughput materials science.

Maier WF, Stöwe K, Sieg S.

Angew Chem Int Ed Engl. 2007;46(32):6016-67.

PMID:
17640024
12.

Computational inference of gene regulatory networks: Approaches, limitations and opportunities.

Banf M, Rhee SY.

Biochim Biophys Acta. 2017 Jan;1860(1):41-52. doi: 10.1016/j.bbagrm.2016.09.003. Epub 2016 Sep 16.

PMID:
27641093
13.

Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery.

Blundell TL, Sibanda BL, Montalvão RW, Brewerton S, Chelliah V, Worth CL, Harmer NJ, Davies O, Burke D.

Philos Trans R Soc Lond B Biol Sci. 2006 Mar 29;361(1467):413-23. Review.

14.

Cloud computing approaches to accelerate drug discovery value chain.

Garg V, Arora S, Gupta C.

Comb Chem High Throughput Screen. 2011 Dec;14(10):861-71. Review.

PMID:
21843145
15.

Combinatorial and high-throughput screening of materials libraries: review of state of the art.

Potyrailo R, Rajan K, Stoewe K, Takeuchi I, Chisholm B, Lam H.

ACS Comb Sci. 2011 Nov 14;13(6):579-633. doi: 10.1021/co200007w. Epub 2011 Aug 31. Review.

PMID:
21644562
16.

[Computational chemistry in structure-based drug design].

Cao R, Li W, Sun HZ, Zhou Y, Huang N.

Yao Xue Xue Bao. 2013 Jul;48(7):1041-52. Review. Chinese.

PMID:
24133970
17.
18.

Real science at the petascale.

Saksena RS, Boghosian B, Fazendeiro L, Kenway OA, Manos S, Mazzeo MD, Sadiq SK, Suter JL, Wright D, Coveney PV.

Philos Trans A Math Phys Eng Sci. 2009 Jun 28;367(1897):2557-71. doi: 10.1098/rsta.2009.0049.

19.

Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).

Hafner J.

J Phys Condens Matter. 2008 Feb 13;20(6):060301. doi: 10.1088/0953-8984/20/06/060301. Epub 2008 Jan 24.

PMID:
21693862
20.

Recent advances in computer-aided drug design.

Song CM, Lim SJ, Tong JC.

Brief Bioinform. 2009 Sep;10(5):579-91. doi: 10.1093/bib/bbp023. Epub 2009 May 11. Review.

PMID:
19433475

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