Promiscuity and electrostatic flexibility in the alkaline phosphatase superfamily von Pabis, Anna, Kamerlin, Shina Caroline Lynn

Volltext

Evolution of chalcone isomerase from a noncatalytic ancestor von Kaltenbach, Miriam, Burke, Jason R., Dindo, Mirco, Pabis, Anna, Munsberg, Fabian S., Rabin, Avigayel, Kamerlin, Shina C. L., Noel, Joseph P., Tawfik, Dan S.

Volltext

Cooperativity and flexibility in enzyme evolution von Pabis, Anna, Risso, Valeria A, Sanchez-Ruiz, Jose M, Kamerlin, Shina CL

Volltext

A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations von Lee, Tai-Sung, Radak, Brian K, Pabis, Anna, York, Darrin M

Volltext

Molecular Dynamics Simulation of Nitrobenzene Dioxygenase Using AMBER Force Field von Pabis, Anna, Geronimo, Inacrist, York, Darrin M, Paneth, Piotr

Volltext

Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes von Baier, Florian, Hong, Nansook, Yang, Gloria, Pabis, Anna, Miton, Charlotte M, Barrozo, Alexandre, Carr, Paul D, Kamerlin, Shina Cl, Jackson, Colin J, Tokuriki, Nobuhiko

Volltext

A theoretical study of carbon-carbon bond formation by a Michael-type addition von Świderek, Katarzyna, Pabis, Anna, Moliner, Vicent

Volltext

Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases von Burke, Jason R, La Clair, James J, Philippe, Ryan N, Pabis, Anna, Corbella, Marina, Jez, Joseph M, Cortina, George A, Kaltenbach, Miriam, Bowman, Marianne E, Louie, Gordon V, Woods, Katherine B, Nelson, Andrew T, Tawfik, Dan S, Kamerlin, Shina C.L, Noel, Joseph P

Volltext

Atomic-Resolution Simulations Show Two Sequential Fusion Peptide Mechanisms in Influenza Membrane Fusion von Pabis, Anna, Kasson, Peter

Volltext

Density and temperature effect on hydrogen-bonded clusters in water - MD simulation study von Swiatla-Wojcik, Dorota, Pabis, Anna, Szala, Joanna

Volltext

Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions von Liao, Qinghua, Pabis, Anna, Strodel, Birgit, Kamerlin, Shina Caroline Lynn

Volltext

A DFT Study of the cis-Dihydroxylation of Nitroaromatic Compounds Catalyzed by Nitrobenzene Dioxygenase von Pabis, Anna, Geronimo, Inacrist, Paneth, Piotr

Volltext

Influenza hemagglutinin drives viral entry via two sequential intramembrane mechanisms von Pabis, Anna, Rawle, Robert J., Kasson, Peter M.

Volltext

Promiscuity in the Enzymatic Catalysis of Phosphate and Sulfate Transfer von Pabis, Anna, Duarte, Fernanda, Kamerlin, Shina C. L

Volltext

Probing the mechanisms for the selectivity and promiscuity of methyl parathion hydrolase von Purg, Miha, Pabis, Anna, Baier, Florian, Tokuriki, Nobuhiko, Jackson, Colin, Kamerlin, Shina Caroline Lynn

Volltext

GTP Hydrolysis Without an Active Site Base: A Unifying Mechanism for Ras and Related GTPases von Calixto, Ana R, Moreira, Cátia, Pabis, Anna, Kötting, Carsten, Gerwert, Klaus, Rudack, Till, Kamerlin, Shina C.L

Volltext

Simulating the reactions of substituted pyridinio-N-phosphonates with pyridine as a model for biological phosphoryl transferElectronic supplementary information (ESI) available. Se... von Pabis, Anna, Williams, Nicholas H, Kamerlin, Shina C. L

Volltext

Molecular dynamics study of the hydration of the hydroxyl radical at body temperature von PABIS, Anna, SZALA-BILNIK, Joanna, SWIATLA-WOJCIK, Dorota

Volltext

Substrate and Enzyme Specificity of the Kinetic Isotope Effects Associated with the Dioxygenation of Nitroaromatic Contaminants von Pati, Sarah G, Kohler, Hans-Peter E, Pabis, Anna, Paneth, Piotr, Parales, Rebecca E, Hofstetter, Thomas B

Volltext

Probing the mechanisms for the selectivity and promiscuity of methyl parathion hydrolase von Purg, Miha, Pabis, Anna, Baier, Florian, Tokuriki, Nobuhiko, Jackson, Colin, Kamerlin, Shina Caroline Lynn

Volltext