| Prediction of homoprotein and heteroprotein complexes by protein docking and template‐based modeling: a CASP‐CAPRI experiment MF Lensink, S Velankar, A Kryshtafovych, SY Huang, ... Proteins: Structure, Function, and Bioinformatics 84, 323-348, 2016 | 168 | 2016 |
| SDA 7: A modular and parallel implementation of the simulation of diffusional association software M Martinez, NJ Bruce, J Romanowska, DB Kokh, M Ozboyaci, X Yu, ... Journal of computational chemistry 36 (21), 1631-1645, 2015 | 74 | 2015 |
| Conformational diversity and ligand tunnels of mammalian cytochrome P 450s X Yu, V Cojocaru, RC Wade Biotechnology and applied biochemistry 60 (1), 134-145, 2013 | 73 | 2013 |
| Dynamics of CYP51: implications for function and inhibitor design X Yu, V Cojocaru, G Mustafa, OMH Salo‐Ahen, GI Lepesheva, RC Wade Journal of Molecular Recognition 28 (2), 59-73, 2015 | 40 | 2015 |
| Ligand tunnels in T. brucei and human CYP51: Insights for parasite-specific drug design X Yu, P Nandekar, G Mustafa, V Cojocaru, GI Lepesheva, RC Wade Biochimica et Biophysica Acta (BBA)-General Subjects 1860 (1), 67-78, 2016 | 30 | 2016 |
| On the application of the MARTINI coarse-grained model to immersion of a protein in a phospholipid bilayer G Mustafa, PP Nandekar, X Yu, RC Wade The Journal of Chemical Physics 143 (24), 2015 | 28 | 2015 |
| webSDA: a web server to simulate macromolecular diffusional association X Yu, M Martinez, AL Gable, JC Fuller, NJ Bruce, S Richter, RC Wade Nucleic Acids Research 43 (W1), W220-W224, 2015 | 15 | 2015 |
| Structure and dynamics of human drug-metabolizing cytochrome P450 enzymes G Mustafa, X Yu, RC Wade Drug metabolism prediction 38, 75-102, 2014 | 10 | 2014 |
| Drug Metabolism Prediction G Mustafa, X Yu, RC Wade, J Kirchmair Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany, 2014 | 5 | 2014 |
| Dynathor: dynamics of the complex of cytochrome p450 and cytochrome P450 reductase in a phospholipid bilayer X Yu, DB Kokh, P Nandekar, G Mustafa, S Richter, RC Wade High Performance Computing in Science and Engineering´ 15: Transactions of …, 2016 | 4 | 2016 |
| Ligand tunnels in T. brucei and human CYP51 X Yu, P Nandekar, G Mustafa, V Cojocaru, GI Lepesheva, RC Wade | | 2015 |
| Multiscale Simulations of Cytochrome P450 Systems X Yu | | 2015 |
| Simulation of Diffusional Association 7 (SDA 7): Brownian Dynamics Simulations of Biomacromolecular Association NJ Bruce, M Martinez, X Yu, J Romanowska, DB Kokh, M Oztürk, ... Computational Trends in Solvation and Transport in Liquids, 39, 0 | | |
