An analysis of the attrition of drug candidates from four major pharmaceutical companies von Waring, Michael J., Arrowsmith, John, Leach, Andrew R., Leeson, Paul D., Mandrell, Sam, Owen, Robert M., Pairaudeau, Garry, Pennie, William D., Pickett, Stephen D., Wang, Jibo, Wallace, Owen, Weir, Alex

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Drug Target Commons: A Community Effort to Build a Consensus Knowledge Base for Drug-Target Interactions von Tang, Jing, Tanoli, Zia-ur-Rehman, Ravikumar, Balaguru, Alam, Zaid, Rebane, Anni, Vähä-Koskela, Markus, Peddinti, Gopal, van Adrichem, Arjan J., Wakkinen, Janica, Jaiswal, Alok, Karjalainen, Ella, Gautam, Prson, He, Liye, Parri, Elina, Khan, Suleiman, Gupta, Abhishekh, Ali, Mehreen, Yetukuri, Laxman, Gustavsson, Anna-Lena, Seashore-Ludlow, Brinton, Hersey, Anne, Leach, Andrew R., Overington, John P., Repasky, Gretchen, Wennerberg, Krister, Aittokallio, Tero

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Target 2035 - update on the quest for a probe for every protein von Müller, Susanne, Ackloo, Suzanne, Al Chawaf, Arij, Al-Lazikani, Bissan, Antolin, Albert, Baell, Jonathan B, Beck, Hartmut, Beedie, Shaunna, Betz, Ulrich A K, Bezerra, Gustavo Arruda, Brennan, Paul E, Brown, David, Brown, Peter J, Bullock, Alex N, Carter, Adrian J, Chaikuad, Apirat, Chaineau, Mathilde, Ciulli, Alessio, Collins, Ian, Dreher, Jan, Drewry, David, Edfeldt, Kristina, Edwards, Aled M, Egner, Ursula, Frye, Stephen V, Fuchs, Stephen M, Hall, Matthew D, Hartung, Ingo V, Hillisch, Alexander, Hitchcock, Stephen H, Homan, Evert, Kannan, Natarajan, Kiefer, James R, Knapp, Stefan, Kostic, Milka, Kubicek, Stefan, Leach, Andrew R, Lindemann, Sven, Marsden, Brian D, Matsui, Hisanori, Meier, Jordan L, Merk, Daniel, Michel, Maurice, Morgan, Maxwell R, Mueller-Fahrnow, Anke, Owen, Dafydd R, Perry, Benjamin G, Rosenberg, Saul H, Saikatendu, Kumar Singh, Schapira, Matthieu, Scholten, Cora, Sharma, Sujata, Simeonov, Anton, Sundström, Michael, Superti-Furga, Giulio, Todd, Matthew H, Tredup, Claudia, Vedadi, Masoud, von Delft, Frank, Willson, Timothy M, Winter, Georg E, Workman, Paul, Arrowsmith, Cheryl H

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Development and validation of a genetic algorithm for flexible docking von Jones, G, Willett, P, Glen, R C, Leach, A R, Taylor, R

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CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hi... von Ackloo, Suzanne, Al-awar, Rima, Amaro, Rommie E., Arrowsmith, Cheryl H., Azevedo, Hatylas, Batey, Robert A., Bengio, Yoshua, Betz, Ulrich A. K., Bologa, Cristian G., Chodera, John D., Cornell, Wendy D., Dunham, Ian, Ecker, Gerhard F., Edfeldt, Kristina, Edwards, Aled M., Gilson, Michael K., Gordijo, Claudia R., Hessler, Gerhard, Hillisch, Alexander, Hogner, Anders, Irwin, John J., Jansen, Johanna M., Kuhn, Daniel, Leach, Andrew R., Lee, Alpha A., Lessel, Uta, Morgan, Maxwell R., Moult, John, Muegge, Ingo, Oprea, Tudor I., Perry, Benjamin G., Riley, Patrick, Rousseaux, Sophie A. L., Saikatendu, Kumar Singh, Santhakumar, Vijayaratnam, Schapira, Matthieu, Scholten, Cora, Todd, Matthew H., Vedadi, Masoud, Volkamer, Andrea, Willson, Timothy M.

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Actionable druggable genome-wide Mendelian randomization identifies repurposing opportunities for COVID-19 von Gaziano, L, Giambartolomei, C, Pereira, AC, Gaulton, A, Posner, DC, Swanson, SA, Ho, Y-L, Iyengar, SK, Kosik, NM, Vujkovic, M, Gagnon, DR, Bento, AP, Barrio-Hernandez, I, Rönnblom, L, Hagberg, N, Lundtoft, C, Langenberg, C, Pietzner, M, Valentine, D, Gustincich, S, Tartaglia, GG, Allara, E, Surendran, P, Burgess, S, Zhao, JH, Peters, JE, Prins, BP, Angelantonio, ED, Devineni, P, Shi, Y, Lynch, KE, DuVall, SL, Garcon, H, Thomann, LO, Zhou, JJ, Gorman, BR, Huffman, JE, O'Donnell, CJ, Tsao, PS, Beckham, JC, Pyarajan, S, Muralidhar, S, Huang, GD, Ramoni, R, Beltrao, P, Danesh, J, Hung, AM, Chang, K-M, Sun, YV, Joseph, J, Leach, AR, Edwards, TL, Cho, K, Gaziano, JM, Butterworth, AS, Casas, JP, VA Million Veteran Program COVID-19 Science Initiative

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Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery von Hann, Michael M, Leach, Andrew R, Harper, Gavin

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Exploring the conformational space of protein side chains using dead-end elimination and the A algorithm von Leach, Andrew R., Lemon, Andrew P.

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A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP von Patel, Yogendra, Gillet, Valerie J, Bravi, Gianpaolo, Leach, Andrew R

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Ligand docking to proteins with discrete side-chain flexibility von Leach, Andrew R.

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Ligand solvation in molecular docking von Shoichet, Brian K., Leach, Andrew R., Kuntz, Irwin D.

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The in silico world of virtual libraries von Leach, Andrew R, Hann, Michael M

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Binding Constants of Neuraminidase Inhibitors:  An Investigation of the Linear Interaction Energy Method von Wall, Ian D, Leach, Andrew R, Salt, David W, Ford, Martyn G, Essex, Jonathan W

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Single-Entity Electrochemistry at Confined Sensing Interfaces von Actis, P, Leach, AR

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Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors von Watson, Nigel S., Brown, David, Campbell, Matthew, Chan, Chuen, Chaudry, Laiq, Convery, Máire A., Fenwick, Rebecca, Hamblin, J. Nicole, Haslam, Claudine, Kelly, Henry A., King, N. Paul, Kurtis, Cynthia L., Leach, Andrew R., Manchee, Gary R., Mason, Andrew M., Mitchell, Charlotte, Patel, Champa, Patel, Vipulkumar K., Senger, Stefan, Shah, Gita P., Weston, Helen E., Whitworth, Caroline, Young, Robert J.

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Conformational analysis of flexible ligands in macromolecular receptor sites von Leach, Andrew R., Kuntz, Irwin D.

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Prediction of Biological Activity for High-Throughput Screening Using Binary Kernel Discrimination von Harper, Gavin, Bradshaw, John, Gittins, John C, Green, Darren V. S, Leach, Andrew R

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Analysis and optimization of structure-based virtual screening protocols: (3). New methods and old problems in scoring function design von Smith, Ryan, Hubbard, Roderick E., Gschwend, Daniel A., Leach, Andrew R., Good, Andrew C.

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Ribosome fingerprinting with a solid-state nanopore von Raveendran, M, Leach, AR, Hopes, T, Aspden, JL, Actis, P

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Integrative GWAS and co-localisation analysis suggests novel genes associated with age-related multimorbidity von West, CE, Karim, M, Falaguera, MJ, Speidel, L, Green, CJ, Logie, L, Schwartzentruber, J, Ochoa, D, Lord, JM, Ferguson, MAJ, Bountra, C, Wilkinson, GF, Vaughan, B, Leach, AR, Dunham, I, Marsden, BD

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