Determinants of Reactivity and Selectivity in Soluble Epoxide Hydrolase from Quantum Mechanics/Molecular Mechanics Modeling

por Lonsdale, Richard, Hoyle, Simon, Grey, Daniel T., Ridder, Lars, Mulholland, Adrian J.
Publicado 2012

QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry

por Zapata, Felipe, Ridder, Lars, Hidding, Johan, Jacob, Christoph R., Infante, Ivan, Visscher, Lucas
Publicado 2019

MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra

por Huber, Florian, van der Burg, Sven, van der Hooft, Justin J. J., Ridder, Lars
Publicado 2021

Enhanced Acylcarnitine Annotation in High-Resolution Mass Spectrometry Data: Fragmentation Analysis for the Classification and Annotation of Acylcarnitines

por van der Hooft, Justin J. J., Ridder, Lars, Barrett, Michael P., Burgess, Karl E. V.
Publicado 2015

Towards FAIR protocols and workflows: the OpenPREDICT use case

por Celebi, Remzi, Rebelo Moreira, Joao, Hassan, Ahmed A., Ayyar, Sandeep, Ridder, Lars, Kuhn, Tobias, Dumontier, Michel
Publicado 2020

Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships

por Huber, Florian, Ridder, Lars, Verhoeven, Stefan, Spaaks, Jurriaan H., Diblen, Faruk, Rogers, Simon, van der Hooft, Justin J. J.
Publicado 2021

DeepRank: a deep learning framework for data mining 3D protein-protein interfaces

por Renaud, Nicolas, Geng, Cunliang, Georgievska, Sonja, Ambrosetti, Francesco, Ridder, Lars, Marzella, Dario F., Réau, Manon F., Bonvin, Alexandre M. J. J., Xue, Li C.
Publicado 2021

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

por McGuire, Ross, Verhoeven, Stefan, Vass, Márton, Vriend, Gerrit, de Esch, Iwan J. P., Lusher, Scott J., Leurs, Rob, Ridder, Lars, Kooistra, Albert J., Ritschel, Tina, de Graaf, Chris
Publicado 2017

Sleep classification from wrist-worn accelerometer data using random forests

por Sundararajan, Kalaivani, Georgievska, Sonja, te Lindert, Bart H. W., Gehrman, Philip R., Ramautar, Jennifer, Mazzotti, Diego R., Sabia, Séverine, Weedon, Michael N., van Someren, Eus J. W., Ridder, Lars, Wang, Jian, van Hees, Vincent T.
Publicado 2021

A community resource for paired genomic and metabolomic data mining

por Schorn, Michelle A., Verhoeven, Stefan, Ridder, Lars, Huber, Florian, Acharya, Deepa D., Aksenov, Alexander A., Aleti, Gajender, Moghaddam, Jamshid Amiri, Aron, Allegra T., Aziz, Saefuddin, Bauermeister, Anelize, Bauman, Katherine D., Baunach, Martin, Beemelmanns, Christine, Beman, J. Michael, Berlanga-Clavero, María Victoria, Blacutt, Alex A., Bode, Helge B., Boullie, Anne, Brejnrod, Asker, Bugni, Tim S., Calteau, Alexandra, Cao, Liu, Carrión, Víctor J., Castelo-Branco, Raquel, Chanana, Shaurya, Chase, Alexander B., Chevrette, Marc G., Costa-Lotufo, Leticia V., Crawford, Jason M., Currie, Cameron R., Cuypers, Bart, Dang, Tam, de Rond, Tristan, Demko, Alyssa M., Dittmann, Elke, Du, Chao, Drozd, Christopher, Dujardin, Jean-Claude, Dutton, Rachel J., Edlund, Anna, Fewer, David P., Garg, Neha, Gauglitz, Julia M., Gentry, Emily C., Gerwick, Lena, Glukhov, Evgenia, Gross, Harald, Gugger, Muriel, Guillén Matus, Dulce G., Helfrich, Eric J. N., Hempel, Benjamin-Florian, Hur, Jae-Seoun, Iorio, Marianna, Jensen, Paul R., Kang, Kyo Bin, Kaysser, Leonard, Kelleher, Neil L., Kim, Chung Sub, Kim, Ki Hyun, Koester, Irina, König, Gabriele M., Leao, Tiago, Lee, Seoung Rak, Lee, Yi-Yuan, Li, Xuanji, Little, Jessica C., Maloney, Katherine N., Männle, Daniel, Martin H., Christian, McAvoy, Andrew C., Metcalf, Willam W., Mohimani, Hosein, Molina-Santiago, Carlos, Moore, Bradley S., Mullowney, Michael W., Muskat, Mitchell, Nothias, Louis-Félix, O’Neill, Ellis C., Parkinson, Elizabeth I., Petras, Daniel, Piel, Jörn, Pierce, Emily C., Pires, Karine, Reher, Raphael, Romero, Diego, Roper, M. Caroline, Rust, Michael, Saad, Hamada, Saenz, Carmen, Sanchez, Laura M., Sørensen, Søren Johannes, Sosio, Margherita, Süssmuth, Roderich D., Sweeney, Douglas, Tahlan, Kapil, Thomson, Regan J., Tobias, Nicholas J., Trindade-Silva, Amaro E., van Wezel, Gilles P., Wang, Mingxun, Weldon, Kelly C., Zhang, Fan, Ziemert, Nadine, Duncan, Katherine R., Crüsemann, Max, Rogers, Simon, Dorrestein, Pieter C., Medema, Marnix H., van der Hooft, Justin J. J.
Publicado 2021