Chemoinformatics in drug development

por Groom, Colin R
Publicado 2012

A crystallographic perspective on sharing data and knowledge

por Bruno, Ian J., Groom, Colin R.
Publicado 2014

The use of small-molecule structures to complement protein–ligand crystal structures in drug discovery

por Groom, Colin R., Cole, Jason C.
Publicado 2017

Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis

por Cole, Jason C., Giangreco, Ilenia, Groom, Colin R.
Publicado 2017

Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis. Addendum

por Cole, Jason C., Giangreco, Ilenia, Groom, Colin R.
Publicado 2017

The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures

por Liebeschuetz, John, Hennemann, Jana, Olsson, Tjelvar, Groom, Colin R.
Publicado 2012

The Cambridge Structural Database

por Groom, Colin R., Bruno, Ian J., Lightfoot, Matthew P., Ward, Suzanna C.
Publicado 2016

Generation of crystal structures using known crystal structures as analogues

por Cole, Jason C., Groom, Colin R., Read, Murray G., Giangreco, Ilenia, McCabe, Patrick, Reilly, Anthony M., Shields, Gregory P.
Publicado 2016

Data to knowledge: how to get meaning from your result

por Berman, Helen M., Gabanyi, Margaret J., Groom, Colin R., Johnson, John E., Murshudov, Garib N., Nicholls, Robert A., Reddy, Vijay, Schwede, Torsten, Zimmerman, Matthew D., Westbrook, John, Minor, Wladek
Publicado 2015

Report on the sixth blind test of organic crystal structure prediction methods

por Reilly, Anthony M., Cooper, Richard I., Adjiman, Claire S., Bhattacharya, Saswata, Boese, A. Daniel, Brandenburg, Jan Gerit, Bygrave, Peter J., Bylsma, Rita, Campbell, Josh E., Car, Roberto, Case, David H., Chadha, Renu, Cole, Jason C., Cosburn, Katherine, Cuppen, Herma M., Curtis, Farren, Day, Graeme M., DiStasio Jr, Robert A., Dzyabchenko, Alexander, van Eijck, Bouke P., Elking, Dennis M., van den Ende, Joost A., Facelli, Julio C., Ferraro, Marta B., Fusti-Molnar, Laszlo, Gatsiou, Christina-Anna, Gee, Thomas S., de Gelder, René, Ghiringhelli, Luca M., Goto, Hitoshi, Grimme, Stefan, Guo, Rui, Hofmann, Detlef W. M., Hoja, Johannes, Hylton, Rebecca K., Iuzzolino, Luca, Jankiewicz, Wojciech, de Jong, Daniël T., Kendrick, John, de Klerk, Niek J. J., Ko, Hsin-Yu, Kuleshova, Liudmila N., Li, Xiayue, Lohani, Sanjaya, Leusen, Frank J. J., Lund, Albert M., Lv, Jian, Ma, Yanming, Marom, Noa, Masunov, Artëm E., McCabe, Patrick, McMahon, David P., Meekes, Hugo, Metz, Michael P., Misquitta, Alston J., Mohamed, Sharmarke, Monserrat, Bartomeu, Needs, Richard J., Neumann, Marcus A., Nyman, Jonas, Obata, Shigeaki, Oberhofer, Harald, Oganov, Artem R., Orendt, Anita M., Pagola, Gabriel I., Pantelides, Constantinos C., Pickard, Chris J., Podeszwa, Rafal, Price, Louise S., Price, Sarah L., Pulido, Angeles, Read, Murray G., Reuter, Karsten, Schneider, Elia, Schober, Christoph, Shields, Gregory P., Singh, Pawanpreet, Sugden, Isaac J., Szalewicz, Krzysztof, Taylor, Christopher R., Tkatchenko, Alexandre, Tuckerman, Mark E., Vacarro, Francesca, Vasileiadis, Manolis, Vazquez-Mayagoitia, Alvaro, Vogt, Leslie, Wang, Yanchao, Watson, Rona E., de Wijs, Gilles A., Yang, Jack, Zhu, Qiang, Groom, Colin R.
Publicado 2016