PUBLICATIONS

52 publications · 2002–2026

1. 052
   UniDock-Pro: A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening

   Ni, B. & Houston, D. R. (2026)

   Journal of Chemical Information and Modeling. 66(5), 2735-2752.DOI ↗

1. 051
   DoggifAI: a transformer based approach for antibody caninisation

   Grabarczyk, D., Kocikowski, M., Parys, M., Houston, D. R., Hupp, T., Alfaro, J. A., & Cohen, S. B. (2025)

   ImmunoInformatics.Link ↗
2. 050
   SCORCH2: A Generalized Heterogeneous Consensus Model for High-Enrichment Interaction-Based Virtual Screening

   Chen, L., Blay, V., Ballester, P. J., & Houston, D. R. (2025)

   Advanced Science, e08318.DOI ↗
3. 049
   CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13

   Herasymenko, O., Silva, M., Abu-Saleh, A. A. A. A., Ahmad, A., Alvarado-Huayhuaz, J., Arce, O. E., ... & Schapira, M. (2025)

   Journal of Chemical Information and Modeling.DOI ↗

1. 048
   AutoDock-SS: AutoDock for Multiconformational Ligand-based Virtual Screening

   Ni, B., Wang, H., Khalaf, H. K. S., Blay, V. & Houston, D. R., 13 May 2024

   Journal of Chemical Information and Modeling. 64, 9, p. 3779-3789 11 p.Link ↗
2. 047
   Revealing the Indispensable Role of the RFamide Functionality using a Novel Acid Labile Benzofuranone based Amine (ALBA) Linker

   Mudd, G., Hendrikse, M., Shave, S., Houston, D. R., Millar, R. P. & Auer, M., 2024

   Helvetica Chimica Acta. 107(4), e202300204.DOI ↗

1. 046
   From Intuition to AI: Evolution of Small Molecule Representations in Drug Discovery

   McGibbon, M., Shave, S., Dong, J., Gao, Y., Houston, D. R., Xie, J., Yang, Y., Schwaller, P. & Blay, V., 29 Nov 2023

   Briefings in bioinformatics. 25, 1, 13 p., bbad422.Link ↗
2. 045
   OpenFEPOPS: A Python implementation of the FEPOPS molecular similarity technique

   Chen, Y-K., Houston, D. R., Auer, M. & Shave, S., 9 Nov 2023

   The Journal of Open Source Software. 8, 91, 5 p., 5763.Link ↗

1. 044
   Comparison of ATP-binding pockets and discovery of homologous recombination Inhibitors

   Blay, V., Gailiunaite, S., Lee, C-Y., Chang, H-Y., Hupp, T., Houston, D. R. & Chi, P., 15 Sept 2022

   Bioorganic and Medicinal Chemistry. 74, 116923.Link ↗
2. 043
   SCORCH: Improving structure-based virtual screening with machine learning classifiers, data augmentation, and uncertainty estimation

   McGibbon, M., Money-Kyrle, S., Blay, V. & Houston, D. R., 25 Jul 2022

   Journal of Advanced Research.Link ↗
3. 042
   Evidence that nuclear receptors are related to terpene synthases

   Houston, D. R., Hanna, J., Lathe, J. C., Hillier, S. & Lathe, R., 14 Mar 2022

   Journal of molecular endocrinology. p. 153-166Link ↗
4. 041
   A 5-FU precursor designed to evade anabolic and catabolic drug pathways and activated by Pd chemistry in vitro and in vivo

   Adam, C., Bray, T., Perez-Lopez, A., Tan, E. H., Rubio Ruiz, B., Baillache, D., Houston, D. R., Salji, M. J., Leung, H. Y. & Unciti-Broceta, A., 13 Jan 2022

   Journal of Medicinal Chemistry. 65, 1, p. 552-561Link ↗

1. 040
   Modelling of Hepatitis E virus RNA-dependent RNA polymerase genotype 3 from a chronic patient and in silico interaction analysis by molecular docking with Ribavirin

   Cancela, F., Rendon Marin, S., Quintero-Gil, C., Houston, D. R., Gumbis, G., Panzera, Y., Arbiza, J., Mirazo, S. & Pérez, R., 3 Dec 2021

   Journal of Biomolecular Structure and Dynamics.Link ↗
2. 039
   Bypassing the requirement for aminoacyl-tRNA by a cyclodipeptide synthase enzyme

   Harding, C. J., Sutherland, E., Hanna, J. G., Houston, D. R. & Czekster, C. M., 15 Jan 2021

   RSC Chemical Biology. 11 p.Link ↗

1. 038
   PRL3-DDX21 transcriptional control of endolysosomal genes restricts melanocyte stem cell differentiation

   Johansson, J., Marie, K. L., Lu, Y., Brombin, A., Santoriello, C., Zeng, Z., Zich, J., Gautier, P., von Kriegsheim, A., Brunsdon, H., Wheeler, A. P., Dreger, M., Houston, D. R., Dooley, C. M., Sims, A. H., Busch-Nentwich, E. M., Zon, L. I., Illingworth, R. & Patton, E. E., 10 Aug 2020

   Developmental Cell. 54, 3, p. 317-332.E9 16 p.Link ↗
2. 037
   Recognition dynamics of cancer mutations on the ERp57-Tapasin interface

   Padariya, M., Kalathiya, U., Houston, D. R. & Alfaro, J. A., 20 Mar 2020

   Cancers. 12, 3, 20 p.Link ↗

1. 036
   Insights into the effects of cancer associated mutations at the UPF2 and ATP binding sites of NMD master regulator: UPF1

   Kalathiya, U., Padariya, M., Pawlicka, K., Verma, C. S., Houston, D., Hupp, T. & Alfaro, J. A., 11 Nov 2019

   Link ↗
2. 035
   Design of drug-like hepsin inhibitors against prostate cancer and kidney stones

   Blay, V., Houston, D., Li, M. C., P. Ho, S., Stoller, M. L., Hsieh, H-P. & Houston, D., 28 Sept 2019

   Acta Pharmaceutica Sinica B. 10, 7, p. 1309-1320Link ↗
3. 034
   Lamin A molecular compression and sliding as mechanisms behind nucleoskeleton elasticity

   Makarov, A. A., Zou, J., Houston, D. R., Spanos, C., Solovyova, A. S., Cardenal-Peralta, C., Rappsilber, J. & Schirmer, E. C., 11 Jul 2019

   Nature Communications. 10, 1, 17 p., 3056.Link ↗
4. 033
   An inter-subunit protein-peptide interface that stabilizes the specific activity and oligomerization of the AAA+ chaperone Reptin

   Coufalova, D., Remnant, L., Hernychova, L., Muller, P., Healy, A., Kannan, S., Vojtesek, B., Westwood, N., Verma, C. S., Vojtesek, B., Hupp, T. R. & Houston, D. R., 15 May 2019

   Journal of proteomics. 199, p. 89-101 13 p.Link ↗
5. 032
   Intrinsic lipid binding activity of ATG16L1 supports efficient membrane anchoring and autophagy

   Dudley, L. J., G Cabodevilla, A., Makar, A. N., Sztacho, M., Michelberger, T., Marsh, J. A., Houston, D. R., Martens, S., Jiang, X. & Gammoh, N., 2 May 2019

   EMBO Journal. 38, 9, 16 p., e100554.Link ↗
6. 031
   Oligopeptide signaling through TbGPR89 drives Trypanosome Quorum sensing

   Rojas, F., Silvester, E., Young, J., Milne, R., Tettey, M., Houston, D. R., Walkinshaw, M. D., Pérez-Pi, I., Auer, M., Denton, H., Smith, T. K., Thompson, J. & Matthews, K. R., 10 Jan 2019

   Cell. 176, 1-2, p. 306-317.e16 28 p.Link ↗

1. 030
   ALDH1 bio-activates nifuroxazide to eradicate ALDHHigh melanoma-initiating cells

   Sarvi, S., Crispin, R., Lu, Y., Zeng, L., Hurley, T. D., Houston, D. R., von Kriegsheim, A., Chen, C-H., Mochly-Rosen, D., Ranzani, M., Mathers, M. E., Xu, X., Xu, W., Adams, D. J., Carragher, N. O., Fujita, M., Schuchter, L., Unciti-Broceta, A., Brunton, V. G. & Patton, E. E., 20 Dec 2018

   Cell Chemical Biology. 25, 12, p. 1456-1469.e6 20 p.Link ↗
2. 029
   Demonstration of the Anthelmintic Potency of Marimastat in the Heligmosomoides Polygyrus Rodent Modeling

   Robertson, E., Harcus, Y., Johnston, C. J. C., Page, A. P., Walkinshaw, M. D., Maizels, R. M. & Houston, D., 1 Dec 2018

   The journal of parasitology. 104, 6, p. 705-709 5 p.Link ↗
3. 028
   Fatty-acylation target sequence in the ligand-binding domain of vertebrate steroid receptors demarcates evolution from estrogen-related receptors

   Lathe, R. & Houston, D., Nov 2018, In: Journal of Steroid Biochemistry and Molecular Biology. 184, p. 20-28 9 p.,

   Journal of Steroid Biochemistry and Molecular Biology. 184, p. 20-28 9 p.Link ↗
4. 027
   Development of potent inhibitors of receptor tyrosine kinases by ligand-based drug design and target-biased phenotypic screening

   Myers, S., Temps, C., Houston, D., Brunton, V. G. & Unciti-Broceta, A., 21 Feb 2018

   Journal of Medicinal Chemistry. 61, 5, p. 2104-2110 7 p.Link ↗

1. 026
   Mono-substituted Hydrocarbon Diastereomer Combinations Reveal Stapled Peptides with High Structural Fidelity

   Mcwhinnie, F. S., Sepp, K., Wilson, C., Kunath, T., Hupp, T. R., Baker, T. S., Houston, D. R. & Hulme, A. N., 21 Dec 2017

   Chemistry - A European Journal.Link ↗

1. 025
   Inhibitors of leishmania mexicana phosphoglycerate mutase identified by virtual screening and verified by inhibition studies

   Fuad, F. A. A., Houston, D. R., Michels, P. A. M., Fothergill-Gilmore, L. A. & Walkinshaw, M. D., 1 Jul 2016

   Journal Sains Malaysiana. 45, 7, p. 1113-1120 8 p.Link ↗
2. 024
   Rapid Discovery and Structure-Activity Relationships of Pyrazolopyrimidines that Potently Suppress Breast Cancer Cell Growth via SRC Kinase Inhibition with Exceptional Selectivity over ABL Kinase

   Fraser, C., Dawson, J. C., Dowling, R., Houston, D. R., Weiss, J. T., Munro, A. F., Muir, M., Harrington, L., Webster, S. P., Frame, M. C., Brunton, V. G., Patton, E. E., Carragher, N. O. & Unciti-Broceta, A., 26 May 2016

   Journal of Medicinal Chemistry.Link ↗
3. 023
   Novel triazolothiadiazines act as potent anticancer agents in liver cancer cells through Akt and ASK-1 proteins

   Aytaç, P. S., Durmaz, I., Houston, D. R., Çetin-Atalay, R. & Tozkoparan, B., 15 Feb 2016

   Bioorganic and Medicinal Chemistry. 24, 4, p. 858-872 15 p.Link ↗

1. 022
   Identification and activity of inhibitors of the essential nematode-specific metalloprotease DPY-31

   France, D. J., Stepek, G., Houston, D. R., Williams, L., McCormack, G., Walkinshaw, M. D. & Page, A. P., 15 Dec 2015

   Bioorganic & Medicinal Chemistry Letters. 25, 24, p. 5752-5755 4 p.Link ↗
2. 021
   Hetero-trans-β-glucanase, an enzyme unique to Equisetum plants, functionalises cellulose

   Simmons, T. J., Mohler, K. E., Holland, C., Goubet, F., Franková, L., Houston, D. R., Hudson, A. D., Meulewaeter, F. & Fry, S. C., 1 Sept 2015

   The Plant Journal. 83, 5, p. 753-769 17 p.Link ↗
3. 020
   Inhibition of the ERCC1-XPF structure-specific endonuclease to overcome cancer chemoresistance

   McNeil, E. M., Astell, K. R., Ritchie, A-M., Shave, S., Houston, D. R., Bakrania, P., Jones, H. M., Khurana, P., Wallace, C., Chapman, T., Wear, M. A., Walkinshaw, M. D., Saxty, B. & Melton, D. W., Jul 2015

   DNA Repair. 31, p. 19-28 10 p.Link ↗
4. 019
   Development of a novel ligand that modulates the protein-protein interactions of the AAA+ superfamily oncoprotein reptin

   Healy, A. R., Houston, D. R., Remnant, L., Huart, A. S., Brychtova, V., Maslon, M. M., Meers, O., Muller, P., Krejci, A., Blackburn, E. A., Vojtesek, B., Hernychova, L., Walkinshaw, M. D., Westwood, N. J. & Hupp, T. R., 1 May 2015

   Chemical Science. 6, 5, p. 3109-3116 8 p.Link ↗
5. 018
   Structure- and ligand-based virtual screening identifies new scaffolds for inhibitors of the oncoprotein MDM2

   Houston, D. R., Yen, L. H., Pettit, S. & Walkinshaw, M. D., 17 Apr 2015

   PLoS ONE. 10, 4, e0121424.Link ↗
6. 017
   UFSRAT: Ultra-fast shape recognition with atom types -The discovery of novel bioactive small molecular scaffolds for FKBP12 and 11βHSD1

   Shave, S., Blackburn, E. A., Adie, J., Houston, D. R., Auer, M., Webster, S. P., Taylor, P. & Walkinshaw, M. D., 6 Feb 2015

   PLoS ONE. 10, 2, p. e0116570Link ↗
7. 016
   Structural Basis for the Inverted Repeat Preferences of mariner Transposases

   Trubitsyna, M., Grey, H., Houston, D., Finnegan, D. & Richardson, J., 2015

   Journal of Biological Chemistry. 290, 21, p. 13531-13540Link ↗

1. 015
   Artemisinin resistance in rodent malaria - mutation in the AP2 adaptor μ-chain suggests involvement of endocytosis and membrane protein trafficking

   Henriques, G., Martinelli, A., Rodrigues, L., Modrzynska, K., Fawcett, R., Houston, D. R., Borges, S. T., d'Alessandro, U., Tinto, H., Karema, C., Hunt, P. & Cravo, P., 2013

   Malaria Journal. 12, 118Link ↗
2. 014
   Consensus Docking: Improving the Reliability of Docking in a Virtual Screening Context

   Houston, D. R. & Walkinshaw, M. D., 2013

   Journal of Chemical Information and Modeling. 53, 2, p. 384-390 7 p.Link ↗

1. 013
   Raf1 Is a DCAF for the Rik1 DDB1-Like Protein and Has Separable Roles in siRNA Generation and Chromatin Modification

   Buscaino, A., White, S. A., Houston, D. R., Lejeune, E., Simmer, F., de Lima Alves, F., Diyora, P. T., Urano, T., Bayne, E., Rappsilber, J. & Allshire, R. C., Feb 2012

   PLoS Genetics. 8, 2, e1002499.Link ↗

1. 012
   Crystal Structures of Antibiotic-Bound Complexes of Aminoglycoside 2′′-Phosphotransferase IVa Highlight the Diversity in Substrate Binding Modes among Aminoglycoside Kinases

   Shi, K., Houston, D. R. & Berghuis, A. M., Jul 2011

   Biochemistry. 50, 28, p. 6237-6244 8 p.Link ↗

1. 011
   Identification and characterization of a protein-tyrosine phosphatase in Leishmania: Involvement in virulence

   Nascimento, M., Zhang, W. W., Ghosh, A., Houston, D. R., Berghuis, A. M., Olivier, M. & Matlashewski, G.,, 24 Nov 2006

   Journal of Biological Chemistry. 281, 47, p. 36257-36268 12 p.Link ↗

1. 010
   Crystal structure and binding properties of the Serratia marcescens chitin-binding protein CBP21

   Vaaje-Kolstad, G., Houston, D. R., Riemen, A. H. K., Eijsink, V. G. H. & Van Aalten, D. M. F.,, 25 Mar 2005

   Journal of Biological Chemistry. 280, 12, p. 11313-11319 7 p.Link ↗
2. 009
   Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases

   Rao, F. V., Houston, D. R., Boot, R. G., Aerts, J. M. F. G., Hodkinson, M., Adams, D. J., Shiomi, K., Omura, S. & Van Aalten, D. M. F.,, 1 Jan 2005

   Chemistry and Biology. 12, 1, p. 65-76 12 p.Link ↗

1. 008
   Structure-based exploration of cyclic dipeptide chitinase inhibitors

   Houston, D. R., Synstad, B., Eijsink, V. G. H., Stark, M. J. R., Eggleston, I. M. & Van Aalten, D. M. F.,, 4 Nov 2004

   Journal of Medicinal Chemistry. 47, 23, p. 5713-5720 8 p.Link ↗
2. 007
   Interactions of a Family 18 Chitinase with the Designed Inhibitor HM508 and Its Degradation Product, Chitobiono-δ-lactone

   Vaaje-Kolstad, G., Vasella, A., Peter, M. G., Netter, C., Houston, D. R., Westereng, B., Synstad, B., Eijsink, V. G. H. & Van Aalten, D. M. F.,, 30 Jan 2004

   Journal of Biological Chemistry. 279, 5, p. 3612-3619 8 p.Link ↗
3. 006
   Structure of the D142N mutant of the family 18 chitinase ChiB from Serratia marcescens and its complex with allosamidin

   Vaaje-Kolstad, G., Houston, D. R., Rao, F. V., Peter, M. G., Synstad, B., Van Aalten, D. M. F. & Eijsink, V. G. H.,, 14 Jan 2004

   Biochimica et Biophysica Acta - Proteins and Proteomics. 1696, 1, p. 103-111 9 p. Research output: Contribution to journal › Article › peer-reviewLink ↗

1. 005
   Structure and ligand-induced conformational change of the 39-kDa glycoprotein from human articular chondrocytes

   Houston, D. R., Recklies, A. D., Krupa, J. C. & Van Aalten, D. M. F.,, 8 Aug 2003

   Journal of Biological Chemistry. 278, 32, p. 30206-30212 7 p.Link ↗
2. 004
   Crystal structures of allosamidin derivatives in complex with human macrophage chitinase

   Rao, F. V., Houston, D. R., Boot, R. G., Aerts, J. M. F. G., Sakuda, S. & Van Aalten, D. M. F.,, 30 May 2003

   Journal of Biological Chemistry. 278, 22, p. 20110-20116 7 p.Link ↗

1. 003
   The cyclic dipeptide CI-4 [cyclo-(L-Arg-D-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate

   Houston, D. R., Eggleston, I., Synstad, B., Eijsink, V. G. H. & Van Aalten, D. M. F.,, 15 Nov 2002

   Biochemical Journal. 368, 1, p. 23-27 5 p.Link ↗
2. 002
   Structure of human chitotriosidase: Implications for specific inhibitor design and function of mammalian chitinase-like lectins

   Fusetti, F., Von Moeller, H., Houston, D., Rozeboom, H. J., Dijkstra, B. W., Boot, R. G., Aerts, J. M. F. G. & Van Aalten, D. M. F., 12 Jul 2002

   Journal of Biological Chemistry. 277, 28, p. 25537-25544 8 p.Link ↗
3. 001
   High-resolution structures of a chitinase complexed with natural product cyclopentapeptide inhibitors: Mimicry of carbohydrate substrate

   Houston, D. R., Shiomi, K., Arai, N., Omura, S., Peter, M. G., Turberg, A., Synstad, B., Eijsink, V. G. H. & Van Aalten, D. M. F., 9 Jul 2002

   Proceedings of the National Academy of Sciences (PNAS). 99, 14, p. 9127-9132 6 p.Link ↗