Imperial College London
Alternate

ProfessorRobertGlen

Faculty of Medicine, Department of Metabolism, Digestion and Reproduction

Chair in Computational Medicine
 
 
 
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Contact

 

+44 (0)20 7594 7912r.glen Website

 
 
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Location

 

362Sir Alexander Fleming BuildingSouth Kensington Campus

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Summary

 

Publications

Publication Type
Year
to

230 results found

Torella RF, Bray SJ, Adryan B, Glen RCet al., 2012, Structure-based prediction of transcription factor specificity: Comparison to position weight matrix and in vitro prediction methods, 11th International Biorelated Polymer Symposium / 243rd National Spring Meeting of the American-Chemical-Society (ACS), Publisher: AMER CHEMICAL SOC, ISSN: 0065-7727

Conference paper

Kirchmair J, Williamson MJ, Tyzack JD, Tan L, Bond PJ, Bender A, Glen RCet al., 2012, Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 52, Pages: 617-648, ISSN: 1549-9596

Journal article

Gleeson MP, Modi S, Bender A, Robinson RLM, Kirchmair J, Promkatkaew M, Hannongbua S, Glen RCet al., 2012, The Challenges Involved in Modeling Toxicity Data <i>In Silico</i>: A Review, CURRENT PHARMACEUTICAL DESIGN, Vol: 18, Pages: 1266-1291, ISSN: 1381-6128

Journal article

Lowe R, Mussa HY, Nigsch F, Glen RC, Mitchell JBOet al., 2012, Predicting the mechanism of phospholipidosis, JOURNAL OF CHEMINFORMATICS, Vol: 4, ISSN: 1758-2946

Journal article

Glen RC, 2012, Computational chemistry and cheminformatics: an essay on the future, JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, Vol: 26, Pages: 47-49, ISSN: 0920-654X

Journal article

Koutsoukas A, Simms B, Kirchmair J, Bond PJ, Whitmore AV, Zimmer S, Young MP, Jenkins JL, Glick M, Glen RC, Bender Aet al., 2011, From <i>in silico</i> target prediction to multi-target drug design: Current databases, methods and applications, JOURNAL OF PROTEOMICS, Vol: 74, Pages: 2554-2574, ISSN: 1874-3919

Journal article

Orchard S, Al-Lazikani B, Bryant S, Clark D, Calder E, Dix I, Engkvist O, Forster M, Gaulton A, Gilson M, Glen R, Grigorov M, Hammond-Kosack K, Harland L, Hopkins A, Larminie C, Lynch N, Mann RK, Murray-Rust P, Lo Piparo E, Southan C, Steinbeck C, Wishart D, Hermjakob H, Overington J, Thornton Jet al., 2011, Minimum information about a bioactive entity (MIABE), NATURE REVIEWS DRUG DISCOVERY, Vol: 10, Pages: 661-669, ISSN: 1474-1776

Journal article

Glen RC, 2011, Discovering drugs: Generating pharmacologically relevant leads that target disease, 242nd National Meeting of the American-Chemical-Society (ACS), Publisher: AMER CHEMICAL SOC, ISSN: 0065-7727

Conference paper

Lowe R, Mussa HY, Mitchell JBO, Glen RCet al., 2011, Classifying Molecules Using a Sparse Probabilistic Kernel Binary Classifier, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 51, Pages: 1539-1544, ISSN: 1549-9596

Journal article

Macaluso NJM, Pitkin SL, Maguire JJ, Davenport AP, Glen RCet al., 2011, Discovery of a Competitive Apelin Receptor (APJ) Antagonist, CHEMMEDCHEM, Vol: 6, Pages: 1017-1023, ISSN: 1860-7179

Journal article

Wang Z, Chen Y, Liang H, Bender A, Glen RC, Yan Aet al., 2011, P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Data set, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 51, Pages: 1447-1456, ISSN: 1549-9596

Journal article

Robinson RLM, Glen RC, Mitchell JBO, 2011, Development and Comparison of hERG Blocker Classifiers: Assessment on Different Datasets Yields Markedly Different Results, MOLECULAR INFORMATICS, Vol: 30, Pages: 443-458, ISSN: 1868-1743

Journal article

Glen RC, 2011, Connecting the virtual world of computers to the real world of medicinal chemistry, FUTURE MEDICINAL CHEMISTRY, Vol: 3, Pages: 399-403, ISSN: 1756-8919

Journal article

Lowe DM, Corbett PT, Murray-Rust P, Glen RCet al., 2011, Chemical Name to Structure: OPSIN, an Open Source Solution, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 51, Pages: 739-753, ISSN: 1549-9596

Journal article

Mussa HY, Hawizy L, Nigsch F, Glen RCet al., 2011, Classifying Large Chemical Data Sets: Using A Regularized Potential Function Method, JOURNAL OF CHEMICAL INFORMATION AND MODELING, Vol: 51, Pages: 4-14, ISSN: 1549-9596

Journal article

Lowe R, Glen RC, Mitchell JBO, 2010, Predicting Phospholipidosis Using Machine Learning, MOLECULAR PHARMACEUTICS, Vol: 7, Pages: 1708-1714, ISSN: 1543-8384

Journal article

Glen RC, 2010, Computers and drug discovery: From duds to $5B drugs, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 240, ISSN: 0065-7727

Journal article

Jessop DM, Hawizy L, Murray-Rust P, Glen RCet al., 2010, Semantic analysis of chemical patents, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 240, ISSN: 0065-7727

Journal article

Carlsson L, Spjuth O, Adams S, Glen RC, Boyer Set al., 2010, Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse, BMC BIOINFORMATICS, Vol: 11, ISSN: 1471-2105

Journal article

Macaluso NJM, Glen RC, 2010, Exploring the 'RPRL' Motif of Apelin-13 through Molecular Simulation and Biological Evaluation of Cyclic Peptide Analogues, CHEMMEDCHEM, Vol: 5, Pages: 1247-1253, ISSN: 1860-7179

Journal article

Mussa HY, Glen RC, 2010, Memory-Efficient Fully Coupled Filtering Approach for Observational Model Building, IEEE TRANSACTIONS ON NEURAL NETWORKS, Vol: 21, Pages: 680-686, ISSN: 1045-9227

Journal article

Lowe DM, Corbett PT, Murray-Rust P, Glen RCet al., 2010, Chemical entity extraction and interpretation, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 239, ISSN: 0065-7727

Journal article

Nerukh D, Jensen CH, Glen RC, 2010, Identifying and correcting non-Markov states in peptide conformational dynamics, JOURNAL OF CHEMICAL PHYSICS, Vol: 132, ISSN: 0021-9606

Journal article

Davenport AP, Pitkin SL, Maguire JJ, Macaluso M, Glen RCet al., 2009, Discovery and Characterisation of Linear and Cyclic Peptide Agonists of Apelins, 82nd Scientific Session of the American-Heart-Association, Publisher: LIPPINCOTT WILLIAMS & WILKINS, Pages: S1148-S1148, ISSN: 0009-7322

Conference paper

Oprea TI, Bologa CG, Boyer S, Curpan RF, Glen RC, Hopkins AL, Lipinski CA, Marshall GR, Martin YC, Ostopovici-Halip L, Rishton G, Ursu O, Vaz RJ, Waller C, Waldmann H, Sklar LAet al., 2009, A crowdsourcing evaluation of the NIH chemical probes, NATURE CHEMICAL BIOLOGY, Vol: 5, Pages: 441-447, ISSN: 1552-4450

Journal article

Mussa HY, Glen RC, 2009, A new approach to kernel based data analysis algorithms, 4th German Conference on Chemoinformatics, Publisher: BIOMED CENTRAL LTD, ISSN: 1752-153X

Conference paper

Glen RC, Bell J, 2009, Dynamic pharmacophores of the 5-HT1B receptor, 4th German Conference on Chemoinformatics, Publisher: BIOMED CENTRAL LTD, ISSN: 1752-153X

Conference paper

Macaluso NJM, Pitkin SL, Sanderson PN, Davenport AP, Glen RCet al., 2009, Development and characterization of cyclic analogs of apelin-13 through replica-exchange molecular dynamics and experimental validation, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 237, ISSN: 0065-7727

Journal article

Macaluso NJM, Glen RC, 2009, Where does the tetrazole ring belong? Insight to the binding pose of AT1 antagonists using homology modeling, molecular dynamics, and docking, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 237, ISSN: 0065-7727

Journal article

Oprea TI, Bologa CG, Boyer S, Curpan RF, Glen RC, Hopkins AL, Lipinski CA, Marshall GR, Martin YC, Ostopovici-Halip L, Rishton G, Ursu O, Vaz RJ, Waller C, Waldmann H, Sklar LAet al., 2009, Erratum: A crowdsourcing evaluation of the NIH chemical probes (Nature Chemical Biology (2009) 5, (441-447)), Nature Chemical Biology, Vol: 5, ISSN: 1552-4450

Journal article

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