Items where Author is "Furnham, Nicholas"
Number of items: 49.
2021
Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence. (2021)
Moreira-Filho, José T; Silva, Arthur C; Dantas, Rafael F; Gomes, Barbara F; Souza Neto, Lauro R; Brandao-Neto, Jose; Owens, Raymond J; Furnham, Nicholas; Neves, Bruno J; Silva-Junior, Floriano P; Andrade, Carolina H
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Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals. (2021)
Silva, Arthur C; Borba, Joyce VVB; Alves, Vinicius M; Hall, Steven US; Furnham, Nicholas; Kleinstreuer, Nicole; Muratov, Eugene; Tropsha, Alexander; Andrade, Carolina Horta
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Structural and Genomic Insights Into Pyrazinamide Resistance in Mycobacterium tuberculosis Underlie Differences Between Ancient and Modern Lineages. (2021)
Tunstall, Tanushree; Phelan, Jody; Eccleston, Charlotte; Clark, Taane G; Furnham, Nicholas
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2020
Prediction of rifampicin resistance beyond the RRDR using structure-based machine learning approaches. (2020)
Portelli, Stephanie; Myung, Yoochan; Furnham, Nicholas; Vedithi, Sundeep Chaitanya; Pires, Douglas EV; Ascher, David B
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Combining structure and genomics to understand antimicrobial resistance. (2020)
Tunstall, Tanushree; Portelli, Stephanie; Phelan, Jody; Clark, Taane G; Ascher, David B; Furnham, Nicholas
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In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery. (2020)
de Souza Neto, Lauro Ribeiro; Moreira-Filho, José Teófilo; Neves, Bruno Junior; Maidana, Rocío Lucía Beatriz Riveros; Guimarães, Ana Carolina Ramos; Furnham, Nicholas; Andrade, Carolina Horta; Silva, Floriano Paes
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2019
Unveiling the Kinomes of Leishmania infantum and L. braziliensis Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds. (2019)
Borba, Joyce VB; Silva, Arthur C; Ramos, Pablo IP; Grazzia, Nathalia; Miguel, Danilo C; Muratov, Eugene N; Furnham, Nicholas; Andrade, Carolina H
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Exploring Enzyme Evolution from Changes in Sequence, Structure, and Function. (2019)
Tyzack, JD; Furnham, N; Sillitoe, I; Orengo, CM; Thornton, JM
2018
Author Correction: Genome-wide analysis of multi- and extensively drug-resistant Mycobacterium tuberculosis. (2018)
Coll, Francesc; Phelan, Jody; Hill-Cawthorne, Grant A; Nair, Mridul B; Mallard, Kim; Ali, Shahjahan; Abdallah, Abdallah M; Alghamdi, Saad; Alsomali, Mona; Ahmed, Abdallah O; Portelli, Stephanie; Oppong, Yaa; Alves, Adriana; Bessa, Theolis Barbosa; Campino, Susana; Caws, Maxine; Chatterjee, Anirvan; Crampin, Amelia C; Dheda, Keertan; Furnham, Nicholas; Glynn, Judith R; Grandjean, Louis; Ha, Dang Minh; Hasan, Rumina; Hasan, Zahra; Hibberd, Martin L; Joloba, Moses; Jones-López, Edward C; Matsumoto, Tomoshige; Miranda, Anabela; Moore, David J; Mocillo, Nora; Panaiotov, Stefan; Parkhill, Julian; Penha, Carlos; Perdigão, João; Portugal, Isabel; Rchiad, Zineb; Robledo, Jaime; Sheen, Patricia; Shesha, Nashwa Talaat; Sirgel, Frik A; Sola, Christophe; Sousa, Erivelton Oliveira; Streicher, Elizabeth M; Van Helden, Paul; Viveiros, Miguel; Warren, Robert M; McNerney, Ruth; Pain, Arnab; Clark, Taane G
Genome-wide analysis of multi- and extensively drug-resistant Mycobacterium tuberculosis. (2018)
Coll, Francesc; Phelan, Jody; Hill-Cawthorne, Grant A; Nair, Mridul B; Mallard, Kim; Ali, Shahjahan; Abdallah, Abdallah M; Alghamdi, Saad; Alsomali, Mona; Ahmed, Abdallah O; Portelli, Stephanie; Oppong, Yaa; Alves, Adriana; Bessa, Theolis Barbosa; Campino, Susana; Caws, Maxine; Chatterjee, Anirvan; Crampin, Amelia C; Dheda, Keertan; Furnham, Nicholas; Glynn, Judith R; Grandjean, Louis; Minh Ha, Dang; Hasan, Rumina; Hasan, Zahra; Hibberd, Martin L; Joloba, Moses; Jones-López, Edward C; Matsumoto, Tomoshige; Miranda, Anabela; Moore, David J; Mocillo, Nora; Panaiotov, Stefan; Parkhill, Julian; Penha, Carlos; Perdigão, João; Portugal, Isabel; Rchiad, Zineb; Robledo, Jaime; Sheen, Patricia; Shesha, Nashwa Talaat; Sirgel, Frik A; Sola, Christophe; Oliveira Sousa, Erivelton; Streicher, Elizabeth M; Helden, Paul Van; Viveiros, Miguel; Warren, Robert M; McNerney, Ruth; Pain, Arnab; Clark, Taane G
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Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents. (2018)
Giuliani, Sandra; Silva, Arthur C; Borba, Joyce VVB; Ramos, Pablo IP; Paveley, Ross A; Muratov, Eugene N; Andrade, Carolina Horta; Furnham, Nicholas
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Understanding molecular consequences of putative drug resistant mutations in Mycobacterium tuberculosis. (2018)
Portelli, Stephanie; Phelan, Jody E; Ascher, David B; Clark, Taane G; Furnham, Nicholas
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2017
Complementary Sources of Protein Functional Information: The Far Side of GO. (2017)
Furnham, N
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Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites. (2017)
Ribeiro, António JM; Holliday, Gemma L; Furnham, Nicholas; Tyzack, Jonathan D; Ferris, Katherine; Thornton, Janet M
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The complex relationship between the emerging flaviviruses: dengue and Zika. (2017)
Tan, Min Jie Alvin; Gaunt, Michael W; Hibberd, Martin L; Furnham, Nicholas
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Understanding enzyme function evolution from a computational perspective. (2017)
Tyzack, Jonathan D; Furnham, Nicholas; Sillitoe, Ian; Orengo, Christine M; Thornton, Janet M
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To what extent do structural changes in catalytic metal sites affect enzyme function? (2017)
Valasatava, Yana; Rosato, Antonio; Furnham, Nicholas; Thornton, Janet M; Andreini, Claudia
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2016
Chopping and Changing: the Evolution of the Flavin-dependent Monooxygenases. (2016)
Mascotti, Maria Laura; Juri Ayub, Maximiliano; Furnham, Nicholas; Thornton, Janet M; Laskowski, Roman A
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QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni. (2016)
Melo-Filho, CC; Dantas, RF; Braga, RC; Neves, BJ; Senger, MR; Valente, WC; Rezende-Neto, JM; Chaves, WT; Muratov, EN; Paveley, RA; Furnham, N; Kamentsky, L; Carpenter, AE; Silva-Junior, FP; Andrade, CH
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Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening. (2016)
Neves, BJ; Dantas, RF; Senger, MR; Melo-Filho, CC; Valente, WC; de Almeida, AC; Rezende-Neto, JM; Lima, EF; Paveley, R; Furnham, N; Muratov, E; Kamentsky, L; Carpenter, AE; Braga, RC; Silva-Junior, FP; Andrade, CH
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Mycobacterium tuberculosis whole genome sequencing and protein structure modelling provides insights into anti-tuberculosis drug resistance. (2016)
Phelan, Jody; Coll, Francesc; McNerney, Ruth; Ascher, David B; Pires, Douglas EV; Furnham, Nick; Coeck, Nele; Hill-Cawthorne, Grant A; Nair, Mridul B; Mallard, Kim; Ramsay, Andrew; Campino, Susana; Hibberd, Martin L; Pain, Arnab; Rigouts, Leen; Clark, Taane G
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2015
PhyTB: Phylogenetic tree visualisation and sample positioning for M. tuberculosis. (2015)
Benavente, Ernest D; Coll, Francesc; Furnham, Nick; McNerney, Ruth; Glynn, Judith R; Campino, Susana; Pain, Arnab; Mohareb, Fady R; Clark, Taane G
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Known Allergen Structures Predict Schistosoma mansoni IgE-Binding Antigens in Human Infection. (2015)
Farnell, Edward J; Tyagi, Nidhi; Ryan, Stephanie; Chalmers, Iain W; Pinot de Moira, Angela; Jones, Frances M; Wawrzyniak, Jakub; Fitzsimmons, Colin M; Tukahebwa, Edridah M; Furnham, Nicholas; Maizels, Rick M; Dunne, David W
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Large-Scale Analysis Exploring Evolution of Catalytic Machineries and Mechanisms in Enzyme Superfamilies. (2015)
Furnham, Nicholas; Dawson, Natalie L; Rahman, Syed A; Thornton, Janet M; Orengo, Christine A
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The Classification and Evolution of Enzyme Function. (2015)
Martínez Cuesta, Sergio; Rahman, Syed Asad; Furnham, Nicholas; Thornton, Janet M
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FunTree: advances in a resource for exploring and contextualising protein function evolution. (2015)
Sillitoe, Ian; Furnham, Nicholas
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Comparisons of Allergenic and Metazoan Parasite Proteins: Allergy the Price of Immunity. (2015)
Tyagi, Nidhi; Farnell, Edward J; Fitzsimmons, Colin M; Ryan, Stephanie; Tukahebwa, Edridah; Maizels, Rick M; Dunne, David W; Thornton, Janet M; Furnham, Nicholas
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2014
Exploring the biological and chemical complexity of the ligases. (2014)
Holliday, Gemma L; Rahman, Syed Asad; Furnham, Nicholas; Thornton, Janet M
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The evolution of enzyme function in the isomerases. (2014)
Martinez Cuesta, Sergio; Furnham, Nicholas; Rahman, Syed Asad; Sillitoe, Ian; Thornton, Janet M
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EC-BLAST: a tool to automatically search and compare enzyme reactions. (2014)
Rahman, Syed Asad; Cuesta, Sergio Martinez; Furnham, Nicholas; Holliday, Gemma L; Thornton, Janet M
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CATH: comprehensive structural and functional annotations for genome sequences. (2014)
Sillitoe, Ian; Lewis, Tony E; Cuff, Alison; Das, Sayoni; Ashford, Paul; Dawson, Natalie L; Furnham, Nicholas; Laskowski, Roman A; Lee, David; Lees, Jonathan G; Lehtinen, Sonja; Studer, Romain A; Thornton, Janet; Orengo, Christine A
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2012
Exploring the evolution of novel enzyme functions within structurally defined protein superfamilies. (2012)
Furnham, Nicholas; Sillitoe, Ian; Holliday, Gemma L; Cuff, Alison L; Laskowski, Roman A; Orengo, Christine A; Thornton, Janet M
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Current challenges in genome annotation through structural biology and bioinformatics. (2012)
Furnham, Nicholas; de Beer, Tjaart AP; Thornton, Janet M
New functional families (FunFams) in CATH to improve the mapping of conserved functional sites to 3D structures. (2012)
Sillitoe, Ian; Cuff, Alison L; Dessailly, Benoit H; Dawson, Natalie L; Furnham, Nicholas; Lee, David; Lees, Jonathan G; Lewis, Tony E; Studer, Romain A; Rentzsch, Robert; Yeats, Corin; Thornton, Janet M; Orengo, Christine A
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2010
Extending CATH: increasing coverage of the protein structure universe and linking structure with function. (2010)
Cuff, Alison L; Sillitoe, Ian; Lewis, Tony; Clegg, Andrew B; Rentzsch, Robert; Furnham, Nicholas; Pellegrini-Calace, Marialuisa; Jones, David; Thornton, Janet; Orengo, Christine A
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2008
Assembly and channel opening in a bacterial drug efflux machine. (2008)
Bavro, Vassiliy N; Pietras, Zbigniew; Furnham, Nicholas; Pérez-Cano, Laura; Fernández-Recio, Juan; Pei, Xue Yuan; Misra, Rajeev; Luisi, Ben
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Comparative modelling by restraint-based conformational sampling. (2008)
Furnham, Nicholas; de Bakker, Paul Iw; Gore, Swanand; Burke, David F; Blundell, Tom L
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Structure and mechanism of drug efflux machinery in Gram negative bacteria. (2008)
Pietras, Zbigniew; Bavro, Vassiliy N; Furnham, Nicholas; Pellegrini-Calace, Marialuisa; Milner-White, E James; Luisi, Ben F
Structural basis for inhibition of homologous recombination by the RecX protein. (2008)
Ragone, Stefania; Maman, Joseph D; Furnham, Nicholas; Pellegrini, Luca
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2006
Structure of an Xrcc4-DNA ligase IV yeast ortholog complex reveals a novel BRCT interaction mode. (2006)
Doré, Andrew S; Furnham, Nicholas; Davies, Owen R; Sibanda, Bancinyane L; Chirgadze, Dimitri Y; Jackson, Stephen P; Pellegrini, Luca; Blundell, Tom L
Is one solution good enough? (2006)
Furnham, Nicholas; Blundell, Tom L; DePristo, Mark A; Terwilliger, Thomas C
Knowledge-based real-space explorations for low-resolution structure determination. (2006)
Furnham, Nicholas; Doré, Andrew S; Chirgadze, Dimitri Y; de Bakker, Paul IW; Depristo, Mark A; Blundell, Tom L
Conformer generation under restraints. (2006)
de Bakker, Paul IW; Furnham, Nicholas; Blundell, Tom L; DePristo, Mark A