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ORCIDXavier Fradera
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2010 – 2019
- 2018
[j7]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): 113-127 (2018)- [j6]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): 129-142 (2018)
2000 – 2009
- 2004
- [j5]Xavier Fradera, Jasmit Kaur, Jordi Mestres:
Unsupervised guided docking of covalently bound ligands. J. Comput. Aided Mol. Des. 18(10): 635-650 (2004) - [j4]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): 439-446 (2004) - 2002
- [j3]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): 939-948 (2002) - [j2]Xavier Fradera, Miquel Solà:
Electron localization and delocalization in open-shell molecules. J. Comput. Chem. 23(14): 1347-1356 (2002) - 2000
- [j1]Xavier Fradera, Miquel Duran, Jordi Mestres:
Atomic transferability within the exchange-correlation density. J. Comput. Chem. 21(15): 1361-1374 (2000)
Coauthor Index
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