Xavier Fradera

According to our database, Xavier Fradera authored at least 7 papers between 2000 and 2018.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2018

Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort.

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

J. Comput. Aided Mol. Des., 2018

Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016.

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

J. Comput. Aided Mol. Des., 2018

2004

Second-order atomic Fukui indices from the electron-pair density in the framework of the atoms in molecules theory.

Xavier Fradera, Miquel Solà

J. Comput. Chem., 2004

Unsupervised guided docking of covalently bound ligands.

Xavier Fradera, Jasmit Kaur, Jordi Mestres

J. Comput. Aided Mol. Des., 2004

2002

Electron localization and delocalization in open-shell molecules.

Xavier Fradera, Miquel Solà

J. Comput. Chem., 2002

Ligand-induced changes in the binding sites of proteins.

Xavier Fradera, Xavier de la Cruz, Carlos H. Tomich P. Silva, Josep Lluis Gelpí, F. Javier Luque, Modesto Orozco

Bioinform., 2002

2000

Atomic transferability within the exchange-correlation density.

Xavier Fradera, Miquel Duran, Jordi Mestres

J. Comput. Chem., 2000