Calculating Kinetic Rates and Membrane Permeability from Biased Simulations von Badaoui, Magd, Kells, Adam, Molteni, Carla, Dickson, Callum J, Hornak, Viktor, Rosta, Edina

Volltext

Structural basis of second-generation HIV integrase inhibitor action and viral resistance von Cook, Nicola J., Li, Wen, Berta, Ddnes, Badaoui, Magd, Ballandras-Colase, Allison, Nans, Andrea, Kotecha, Abhay, Rosta, Edina, Engelman, Alan N., Cherepanov, Peter

Volltext

Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding Kinetics von Badaoui, Magd, Buigues, Pedro J., Berta, Dénes, Mandana, Gaurav M., Gu, Hankang, Földes, Tamás, Dickson, Callum J., Hornak, Viktor, Kato, Mitsunori, Molteni, Carla, Parsons, Simon, Rosta, Edina

Volltext

Lanthanides compete with calcium for binding to cadherins and inhibit cadherin-mediated cell adhesion von Brayshaw, Lewis L, Smith, Rosanna C. G, Badaoui, Magd, Irving, James A, Price, Stephen R

Volltext

Cations in motion: QM/MM studies of the dynamic and electrostatic roles of H + and Mg 2+ ions in enzyme reactions von Berta, Dénes, Buigues, Pedro J, Badaoui, Magd, Rosta, Edina

Volltext

The structural basis for Z α1-antitrypsin polymerization in the liver von Faull, Sarah V, Elliston, Emma L K, Gooptu, Bibek, Jagger, Alistair M, Aldobiyan, Ibrahim, Redzej, Adam, Badaoui, Magd, Heyer-Chauhan, Nina, Rashid, S Tamir, Reynolds, Gary M, Adams, David H, Miranda, Elena, Orlova, Elena V, Irving, James A, Lomas, David A

Volltext

The structural basis for Z α 1 -antitrypsin polymerization in the liver von Faull, Sarah V, Elliston, Emma L K, Gooptu, Bibek, Jagger, Alistair M, Aldobiyan, Ibrahim, Redzej, Adam, Badaoui, Magd, Heyer-Chauhan, Nina, Rashid, S Tamir, Reynolds, Gary M, Adams, David H, Miranda, Elena, Orlova, Elena V, Irving, James A, Lomas, David A

Volltext

Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor von Buigues, Pedro J, Gehrke, Sascha, Badaoui, Magd, Dudas, Balint, Mandana, Gaurav, Qi, Tianyun, Bottegoni, Giovanni, Rosta, Edina

Volltext bestellen

Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding Kinetics von Badaoui, Magd, Buigues, Pedro J, Berta, Dénes, Mandana, Gaurav M, Gu, Hankang, Földes, Tamás, Dickson, Callum J, Hornak, Viktor, Kato, Mitsunori, Molteni, Carla, Parsons, Simon, Rosta, Edina

Volltext bestellen