A. Pabis

发表

Influenza hemagglutinin drives viral entry via two sequential intramembrane mechanisms

P. Kasson, R. Rawle, A. Pabis, 2020, Proceedings of the National Academy of Sciences.

Influenza hemagglutinin drives viral entry via two sequential intramembrane mechanisms

P. Kasson, R. Rawle, A. Pabis, 2020, Proceedings of the National Academy of Sciences.

Cooperativity and flexibility in enzyme evolution.

J. M. Sanchez-Ruiz, V. Risso, A. Pabis, 2018, Current opinion in structural biology.

Promiscuity in the Enzymatic Catalysis of Phosphate and Sulfate Transfer

Shina Caroline Lynn Kamerlin, A. Pabis, F. Duarte, 2016, Biochemistry.

Cryptic genetic variation defines the adaptive evolutionary potential of enzymes

N. Tokuriki, C. Jackson, P. Carr, 2017, bioRxiv.

Introduction to the Empirical Valence Bond Approach

Shina Caroline Lynn Kamerlin, A. Pabis, F. Duarte, 2017 .

Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions

Shina Caroline Lynn Kamerlin, B. Strodel, A. Pabis, 2017, The journal of physical chemistry letters.

Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases

Dan S. Tawfik, M. Bowman, J. Noel, 2018, bioRxiv.

Molecular Dynamics Simulation of Nitrobenzene Dioxygenase Using AMBER Force Field

D. York, A. Pabis, P. Paneth, 2014, Journal of chemical theory and computation.

GTP Hydrolysis Without an Active Site Base: A Unifying Mechanism for Ras and Related GTPases.

K. Gerwert, A. Pabis, T. Rudack, 2019, Journal of the American Chemical Society.

Evolution of chalcone isomerase from a non-catalytic ancestor

Dan S. Tawfik, J. Noel, J. Burke, 2017, bioRxiv.

A theoretical study of carbon-carbon bond formation by a Michael-type addition.

V. Moliner, A. Pabis, K. Świderek, 2012, Organic & biomolecular chemistry.

Probing the mechanisms for the selectivity and promiscuity of methyl parathion hydrolase

Shina Caroline Lynn Kamerlin, N. Tokuriki, C. Jackson, 2016, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

A DFT Study of the cis-Dihydroxylation of Nitroaromatic Compounds Catalyzed by Nitrobenzene Dioxygenase

A. Pabis, P. Paneth, Inacrist Geronimo, 2014, The journal of physical chemistry. B.

Measurements of heavy-atom isotope effects using 1H NMR spectroscopy.

A. Pabis, P. Paneth, R. Kamiński, 2011, The Journal of organic chemistry.

The structure of cyclolinopeptide A in chloroform refined by RDC measurements

B. Luy, A. Pabis, P. Paluch, 2014, Journal of peptide science : an official publication of the European Peptide Society.

Promiscuity and electrostatic flexibility in the alkaline phosphatase superfamily.

A. Pabis, S. C. Kamerlin, 2016, Current opinion in structural biology.

Cryptic genetic variation shapes the adaptive evolutionary 1 potential of enzymes 2 3

C. Jackson, P. Carr, A. Pabis, 2022 .

Evolution of chalcone isomerase from a noncatalytic ancestor

Avigayel Rabin, Dan S. Tawfik, Dan S Tawfik, 2017, bioRxiv.

Substrate and Enzyme Specificity of the Kinetic Isotope Effects Associated with the Dioxygenation of Nitroaromatic Contaminants.

T. Hofstetter, A. Pabis, P. Paneth, 2016, Environmental science & technology.

Molecular dynamics study of the hydration of the hydroxyl radical at body temperature.

A. Pabis, D. Swiatla-Wojcik, J. Szala-Bilnik, 2011, Physical chemistry chemical physics : PCCP.

Density and temperature effect on hydrogen-bonded clusters in water - MD simulation study

A. Pabis, D. Swiatla-Wojcik, Joanna Szala, 2008 .

Simulating the reactions of substituted pyridinio-N-phosphonates with pyridine as a model for biological phosphoryl transfer.

Nicholas H Williams, A. Pabis, S. C. Kamerlin, 2017, Organic & biomolecular chemistry.

A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations.

Tai-Sung Lee, Darrin M York, Brian K Radak, 2013, Journal of chemical theory and computation.

Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes

N. Tokuriki, C. Jackson, P. Carr, 2019, eLife.

A DFT Study of the Kinetic Isotope Effects on the Competing SN2 and E2 Reactions between Hypochlorite Anion and Ethyl Chloride.

A. Pabis, P. Paneth, P. Paluch, 2009, Journal of chemical theory and computation.

Enhancing the Steroid Sulfatase Activity of the Arylsulfatase from Pseudomonas aeruginosa

A. Pabis, Shina C. L. Kamerlin, B. Stevenson, 2018, ACS Catalysis.