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2009

Fragment-based prediction of the clinical occurrence of long qt syndrome and torsade de pointes

Clark, M. & Wiseman, J. S., Nov 23 2009, In : Journal of Chemical Information and Modeling. 49, 11, p. 2617-2626 10 p.

Research output: Contribution to journalArticle

10 Scopus citations

Grand canonical free-energy calculations of protein - Ligand binding

Clark, M., Meshkat, S. & Wiseman, J. S., Apr 27 2009, In : Journal of Chemical Information and Modeling. 49, 4, p. 934-943 10 p.

Research output: Contribution to journalArticle

23 Scopus citations

Hypotheses, evidence and relationships: The HypER approach for representing scientific knowledge claims

De Waard, A., Shum, S. B., Carusi, A., Park, J., Samwald, M. & Sándor, Á., Dec 1 2009, In : CEUR Workshop Proceedings. 523

Research output: Contribution to journalConference article

2 Scopus citations

XQuery in the browser

Fourny, G., Pilman, M., Florescu, D., Kossmann, D., Kraska, T. & McBeath, D., Dec 1 2009, WWW'09 - Proceedings of the 18th International World Wide Web Conference. p. 1011-1020 10 p. (WWW'09 - Proceedings of the 18th International World Wide Web Conference).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

6 Scopus citations
2008

Modeling scientific research articles - Shifting perspectives and persistent issues

De Waard, A. & Kircz, J., Dec 1 2008, Open Scholarship: Authority, Community, and Sustainability in the Age of Web 2.0 - Proceedings of the 12th International Conference on Electronic Publishing, ELPUB 2008. p. 234-245 12 p. (Open Scholarship: Authority, Community, and Sustainability in the Age of Web 2.0 - Proceedings of the 12th International Conference on Electronic Publishing, ELPUB 2008).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

10 Scopus citations
2007

A pragmatic structure for research articles

De Waard, A., Dec 1 2007, Proceedings of the 2nd International Conference on the Pragmatic Web: "Building Common Ground on the Web", ICPW '07. p. 83-89 7 p. (ACM International Conference Proceeding Series; vol. 280).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

7 Scopus citations

Use Case: Drug Ontology Project for Elsevier (DOPE)

de Waard, A., van Harmelen, F. & Fluit, C., Jul 2007

Research output: Other contribution

2006

Development and evaluation of an in silico model for hERG binding

Song, M. & Clark, M., Jan 1 2006, In : Journal of Chemical Information and Modeling. 46, 1, p. 392-400 9 p.

Research output: Contribution to journalArticle

102 Scopus citations

Grand canonical Monte Carlo simulation of ligand - Protein binding

Clark, M., Guarnieri, F., Shkurko, I. & Wiseman, J., Jan 1 2006, In : Journal of Chemical Information and Modeling. 46, 1, p. 231-242 12 p.

Research output: Contribution to journalArticle

80 Scopus citations

The ABCDE format enabling semantic conference proceedings

De Waard, A. & Tel, G., Dec 1 2006, In : CEUR Workshop Proceedings. 206, p. 97-108 12 p.

Research output: Contribution to journalConference article

2005

Generalized fragment-substructure based property prediction method

Clark, M., Jan 1 2005, In : Journal of Chemical Information and Modeling. 45, 1, p. 30-38 9 p.

Research output: Contribution to journalArticle

56 Scopus citations
2004

A topic-based browser for large online resources

Stuckenschmidt, H., De Waard, A., Bhogal, R., Fluit, C., Kampman, A., Van Buel, J., Van Mulligen, E., Broekstra, J., Crowlesmith, I., Van Harmelen, P. & Scerri, T., Dec 1 2004, In : Lecture Notes in Artificial Intelligence (Subseries of Lecture Notes in Computer Science). 3257, p. 433-448 16 p.

Research output: Contribution to journalConference article

6 Scopus citations

Exploring Large Document Repositories with RDF Technology: The DOPE Project

Stuckenschmidt, H., Van Harmelen, F., De Waard, A., Tony, S., Bhogal, R., Van Buel, J., Crowlesmith, I., Fluit, C., Kampman, A., Broekstra, J. & Van Mulligen, E., Jan 1 2004, In : IEEE Intelligent Systems. 19, 3, p. 34-40 7 p.

Research output: Contribution to journalArticle

37 Scopus citations
2003

A conversation with Saul Roseman

Gracy, K. N., Jan 1 2003, In : Biochemical and Biophysical Research Communications. 300, 1, p. 5-8 4 p.

Research output: Contribution to journalArticle

3 Scopus citations
2002

A conversation with Eugene Kennedy

Gracy, K. N., Jan 1 2002, In : Biochemical and Biophysical Research Communications. 294, 3, p. 519-520 2 p.

Research output: Contribution to journalArticle

A conversation with Frank Westheimer

Noelle Gracy, K., Jan 1 2002, In : Biochemical and Biophysical Research Communications. 296, 1, p. 5-7 3 p.

Research output: Contribution to journalEditorial

A conversation with John E. Walker

Noelle Gracy, K., Jan 1 2002, In : Biochemical and Biophysical Research Communications. 298, 1, p. 1-4 4 p.

Research output: Contribution to journalArticle

A conversation with Thomas D. Pollard

Noelle Gracy, K., Jan 1 2002, In : Biochemical and Biophysical Research Communications. 297, 1, p. 6-9 4 p.

Research output: Contribution to journalArticle

A conversation with Wan Kyoo Cho

Noelle Gracy, K., Jan 1 2002, In : Biochemical and Biophysical Research Communications. 297, 5, p. 1071-1074 4 p.

Research output: Contribution to journalArticle

1993
5 Scopus citations

The Probability of Chance Correlation Using Partial Least Squares (PLS)

Clark, M. & Cramer, R. D., Jan 1 1993, In : Quantitative Structure‐Activity Relationships. 12, 2, p. 137-145 9 p.

Research output: Contribution to journalArticle

286 Scopus citations
1990

Comparative molecular field analysis (CoMFA). 2. Toward its use with 3D-structural databases

Clark, M., Cramer, R. D., Jones, D. M., Patterson, D. E. & Simeroth, P. E., Jan 1 1990, In : Tetrahedron Computer Methodology. 3, 1, p. 47-59 13 p.

Research output: Contribution to journalArticle

215 Scopus citations

LAOCOON PC: NMR simulation on a personal computer

Clark, M. & Thrasher, J. S., Dec 1 1990, In : Journal of Chemical Education. 67, 3, p. 235-236 2 p.

Research output: Contribution to journalReview article

17 Scopus citations
1989

Validation of the general purpose tripos 5.2 force field

Clark, M., Cramer, R. D. & Van Opdenbosch, N., Jan 1 1989, In : Journal of Computational Chemistry. 10, 8, p. 982-1012 31 p.

Research output: Contribution to journalArticle

2534 Scopus citations
1988
1 Scopus citations
1987

An ab initio study of the possible isomers and conformations of N-(trifluoromethyl)fluoro methanimine, CF3NCHF

Clark, M. & Thrasher, J. S., Jan 1 1987, In : Journal of Molecular Structure: THEOCHEM. 153, 1-2, p. 67-74 8 p.

Research output: Contribution to journalArticle

1 Scopus citations

Crystal and molecular structure of S-methyl(pentafluorosulfanyl)thiocarbamate

Bott, S. G., Clark, M., Thrasher, J. S. & Atwood, J. L., Apr 1 1987, In : Journal of Crystallographic and Spectroscopic Research. 17, 2, p. 187-196 10 p.

Research output: Contribution to journalArticle

3 Scopus citations

Hydrogen bonding and cation radical formation of methyl 4-(N,N-dimethylamino)phenyl carbamate, DMAPCMe

Laidlaw, R. K., Miura, Y., Grant, J. L., Cooray, L., Clark, M., Kispert, L. D. & Metzger, R. M., Jan 1 1987, In : The Journal of Chemical Physics. 87, 8, p. 4967-4971 5 p.

Research output: Contribution to journalArticle

9 Scopus citations

Imidotetrafluorosulfur derivatives - synthesis, stereochemical rigidity and Ab initio results

Clark, M., Nielsen, J. B., Mauerman, A. A. & Thrasher, J. S., Jan 1 1987, In : Journal of Fluorine Chemistry. 35, 1, 1 p.

Research output: Contribution to journalArticle

New amines and hydrazines with pentafluorochalcogen substituents

Nielsen, J. B., Clark, M., Mauerman, A. A. & Thrasher, J. S., Jan 1 1987, In : Journal of Fluorine Chemistry. 35, 1, 1 p.

Research output: Contribution to journalArticle

216

Visualization of big high dimensional data in a three dimensional space

Xie, Y., Chenna, P., Le, L. & He, J., 0216, The 3rd IEEE/ACM International Conference on Big Data Computing, Applications and Technologies.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Scopus citations