ConKit: a python interface to contact predictions

por Simkovic, Felix, Thomas, Jens M H, Rigden, Daniel J
Publicado 2017

Gallbladder Cancer: Current Multimodality Treatment Concepts and Future Directions

por Sturm, Niklas, Schuhbaur, Jasmin Selina, Hüttner, Felix, Perkhofer, Lukas, Ettrich, Thomas Jens
Publicado 2022

The semantics of Chemical Markup Language (CML): dictionaries and conventions

por Murray-Rust, Peter, Townsend, Joe A, Adams, Sam E, Phadungsukanan, Weerapong, Thomas, Jens
Publicado 2011

Extending the scope of coiled-coil crystal structure solution by AMPLE through improved ab initio modelling

por Thomas, Jens M. H., Keegan, Ronan M., Rigden, Daniel J., Davies, Owen R.
Publicado 2020

MrParse: finding homologues in the PDB and the EBI AlphaFold database for molecular replacement and more

por Simpkin, Adam J., Thomas, Jens M. H., Keegan, Ronan M., Rigden, Daniel J.
Publicado 2022

Molecular replacement using structure predictions from databases

por Simpkin, Adam J., Thomas, Jens M. H., Simkovic, Felix, Keegan, Ronan M., Rigden, Daniel J.
Publicado 2019

Routine phasing of coiled-coil protein crystal structures with AMPLE

por Thomas, Jens M. H., Keegan, Ronan M., Bibby, Jaclyn, Winn, Martyn D., Mayans, Olga, Rigden, Daniel J.
Publicado 2015

Residue contacts predicted by evolutionary covariance extend the application of ab initio molecular replacement to larger and more challenging protein folds

por Simkovic, Felix, Thomas, Jens M. H., Keegan, Ronan M., Winn, Martyn D., Mayans, Olga, Rigden, Daniel J.
Publicado 2016

Approaches to ab initio molecular replacement of α-helical transmembrane proteins

por Thomas, Jens M. H., Simkovic, Felix, Keegan, Ronan, Mayans, Olga, Zhang, Chengxin, Zhang, Yang, Rigden, Daniel J.
Publicado 2017

Exploring the speed and performance of molecular replacement with AMPLE using QUARK ab initio protein models

por Keegan, Ronan M., Bibby, Jaclyn, Thomas, Jens, Xu, Dong, Zhang, Yang, Mayans, Olga, Winn, Martyn D., Rigden, Daniel J.
Publicado 2015

Ensembles generated from crystal structures of single distant homologues solve challenging molecular-replacement cases in AMPLE

por Rigden, Daniel J., Thomas, Jens M. H., Simkovic, Felix, Simpkin, Adam, Winn, Martyn D., Mayans, Olga, Keegan, Ronan M.
Publicado 2018

The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age

por Adams, Sam, de Castro, Pablo, Echenique, Pablo, Estrada, Jorge, Hanwell, Marcus D, Murray-Rust, Peter, Sherwood, Paul, Thomas, Jens, Townsend, Joe
Publicado 2011

Using Phaser and ensembles to improve the performance of SIMBAD

por Simpkin, Adam J., Simkovic, Felix, Thomas, Jens M. H., Savko, Martin, Lebedev, Andrey, Uski, Ville, Ballard, Charles C., Wojdyr, Marcin, Shepard, William, Rigden, Daniel J., Keegan, Ronan M.
Publicado 2020

Recent developments in MrBUMP: better search-model preparation, graphical interaction with search models, and solution improvement and assessment

por Keegan, Ronan M., McNicholas, Stuart J., Thomas, Jens M. H., Simpkin, Adam J., Simkovic, Felix, Uski, Ville, Ballard, Charles C., Winn, Martyn D., Wilson, Keith S., Rigden, Daniel J.
Publicado 2018

SIMBAD: a sequence-independent molecular-replacement pipeline

por Simpkin, Adam J., Simkovic, Felix, Thomas, Jens M. H., Savko, Martin, Lebedev, Andrey, Uski, Ville, Ballard, Charles, Wojdyr, Marcin, Wu, Rui, Sanishvili, Ruslan, Xu, Yibin, Lisa, María-Natalia, Buschiazzo, Alejandro, Shepard, William, Rigden, Daniel J., Keegan, Ronan M.
Publicado 2018

Atezolizumab Plus Bevacizumab in Patients with Advanced and Progressing Hepatocellular Carcinoma: Retrospective Multicenter Experience

por Sinner, Friedrich, Pinter, Matthias, Scheiner, Bernhard, Ettrich, Thomas Jens, Sturm, Niklas, Gonzalez-Carmona, Maria A., Waidmann, Oliver, Finkelmeier, Fabian, Himmelsbach, Vera, De Toni, Enrico N., Ben Khaled, Najib, Mohr, Raphael, Fründt, Thorben Wilhelm, Kütting, Fabian, van Bömmel, Florian, Lieb, Sabine, Krug, Sebastian, Bettinger, Dominik, Schultheiß, Michael, Jochheim, Leonie S., Best, Jan, Müller, Christian, Keitel, Verena, Venerito, Marino
Publicado 2022

CCP4 Cloud for structure determination and project management in macromolecular crystallography

por Krissinel, Eugene, Lebedev, Andrey A., Uski, Ville, Ballard, Charles B., Keegan, Ronan M., Kovalevskiy, Oleg, Nicholls, Robert A., Pannu, Navraj S., Skubák, Pavol, Berrisford, John, Fando, Maria, Lohkamp, Bernhard, Wojdyr, Marcin, Simpkin, Adam J., Thomas, Jens M. H., Oliver, Christopher, Vonrhein, Clemens, Chojnowski, Grzegorz, Basle, Arnaud, Purkiss, Andrew, Isupov, Michail N., McNicholas, Stuart, Lowe, Edward, Triviño, Josep, Cowtan, Kevin, Agirre, Jon, Rigden, Daniel J., Uson, Isabel, Lamzin, Victor, Tews, Ivo, Bricogne, Gerard, Leslie, Andrew G. W., Brown, David G.
Publicado 2022

The CCP4 suite: integrative software for macromolecular crystallography

por Agirre, Jon, Atanasova, Mihaela, Bagdonas, Haroldas, Ballard, Charles B., Baslé, Arnaud, Beilsten-Edmands, James, Borges, Rafael J., Brown, David G., Burgos-Mármol, J. Javier, Berrisford, John M., Bond, Paul S., Caballero, Iracema, Catapano, Lucrezia, Chojnowski, Grzegorz, Cook, Atlanta G., Cowtan, Kevin D., Croll, Tristan I., Debreczeni, Judit É., Devenish, Nicholas E., Dodson, Eleanor J., Drevon, Tarik R., Emsley, Paul, Evans, Gwyndaf, Evans, Phil R., Fando, Maria, Foadi, James, Fuentes-Montero, Luis, Garman, Elspeth F., Gerstel, Markus, Gildea, Richard J., Hatti, Kaushik, Hekkelman, Maarten L., Heuser, Philipp, Hoh, Soon Wen, Hough, Michael A., Jenkins, Huw T., Jiménez, Elisabet, Joosten, Robbie P., Keegan, Ronan M., Keep, Nicholas, Krissinel, Eugene B., Kolenko, Petr, Kovalevskiy, Oleg, Lamzin, Victor S., Lawson, David M., Lebedev, Andrey A., Leslie, Andrew G. W., Lohkamp, Bernhard, Long, Fei, Malý, Martin, McCoy, Airlie J., McNicholas, Stuart J., Medina, Ana, Millán, Claudia, Murray, James W., Murshudov, Garib N., Nicholls, Robert A., Noble, Martin E. M., Oeffner, Robert, Pannu, Navraj S., Parkhurst, James M., Pearce, Nicholas, Pereira, Joana, Perrakis, Anastassis, Powell, Harold R., Read, Randy J., Rigden, Daniel J., Rochira, William, Sammito, Massimo, Sánchez Rodríguez, Filomeno, Sheldrick, George M., Shelley, Kathryn L., Simkovic, Felix, Simpkin, Adam J., Skubak, Pavol, Sobolev, Egor, Steiner, Roberto A., Stevenson, Kyle, Tews, Ivo, Thomas, Jens M. H., Thorn, Andrea, Valls, Josep Triviño, Uski, Ville, Usón, Isabel, Vagin, Alexei, Velankar, Sameer, Vollmar, Melanie, Walden, Helen, Waterman, David, Wilson, Keith S., Winn, Martyn D., Winter, Graeme, Wojdyr, Marcin, Yamashita, Keitaro
Publicado 2023