Xavier Fradera

Publication Activity (10 Years)

Years Active: 2000-2018
Publications (10 Years): 2

Top Topics

Grand Challenge

Grounded Theory

Prediction Error

Top Venues

J. Comput. Aided Mol. Des.

Publications

Xavier Fradera, Andreas Verras, Yuan Hu, Deping Wang, Hongwu Wang, James I. Fells, Kira A. Armacost, Alejandro Crespo, Brad Sherborne, Huijun Wang, Zhengwei Peng, Ying-Duo Gao
Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016. J. Comput. Aided Mol. Des. 32 (1) (2018)
Ying-Duo Gao, Yuan Hu, Alejandro Crespo, Deping Wang, Kira A. Armacost, James I. Fells, Xavier Fradera, Hongwu Wang, Huijun Wang, Brad Sherborne, Andreas Verras, Zhengwei Peng
Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort. J. Comput. Aided Mol. Des. 32 (1) (2018)
Xavier Fradera, Miquel Solà
Second-order atomic Fukui indices from the electron-pair density in the framework of the atoms in molecules theory. J. Comput. Chem. 25 (3) (2004)
Xavier Fradera, Jasmit Kaur, Jordi Mestres
Unsupervised guided docking of covalently bound ligands. J. Comput. Aided Mol. Des. 18 (10) (2004)
Xavier Fradera, Xavier de la Cruz, Carlos H. Tomich P. Silva, Josep Lluis Gelpí, F. Javier Luque, Modesto Orozco
Ligand-induced changes in the binding sites of proteins. Bioinform. 18 (7) (2002)
Xavier Fradera, Miquel Solà
Electron localization and delocalization in open-shell molecules. J. Comput. Chem. 23 (14) (2002)
Xavier Fradera, Miquel Duran, Jordi Mestres
Atomic transferability within the exchange-correlation density. J. Comput. Chem. 21 (15) (2000)