Patrik Rydberg

发表

FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes

Robert C. Glen, Avid M. Afzal, Mark J. Williamson, 2013, J. Chem. Inf. Model..

Binding affinities in the SAMPL3 trypsin and host–guest blind tests estimated with the MM/PBSA and LIE methods

Lars Olsen, Patrik Rydberg, Samuel Genheden, 2012, Journal of Computer-Aided Molecular Design.

RS-Predictor: A New Tool for Predicting Sites of Cytochrome P450-Mediated Metabolism Applied to CYP 3A4

Kristin P. Bennett, Charles Bergeron, Patrik Rydberg, 2011, J. Chem. Inf. Model..

The SMARTCyp cytochrome P450 metabolism prediction server

David E. Gloriam, Lars Olsen, Patrik Rydberg, 2010, Bioinform..

RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes

Kristin P. Bennett, Charles Bergeron, Lars Olsen, 2012, J. Chem. Inf. Model..

WhichCyp: prediction of cytochromes P450 inhibition

Ola Spjuth, Patrik Rydberg, Michal Rostkowski, 2013, Bioinform..

Structure-Activity Relationships and Identification of Optmized CC-Chemokine Receptor CCR1, 5, and 8 Metal-Ion Chelators

David E. Gloriam, Vignir Ísberg, Patrik Rydberg, 2013, J. Chem. Inf. Model..

RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules

Sanjay Joshua Swamidass, Charles Bergeron, Patrik Rydberg, 2013, Bioinform..

Density Functional Theory Study on the Formation of Reactive Benzoquinone Imines by Hydrogen Abstraction

Patrik Rydberg, Lars Olsen, Flemming Steen Jørgensen, 2015, J. Chem. Inf. Model..

XMetDB: an open access database for xenobiotic metabolism

Egon L. Willighagen, Chris T. A. Evelo, Ola Spjuth, 2016, Journal of Cheminformatics.

The contribution of atom accessibility to site of metabolism models for cytochromes P450.

David E. Gloriam, Lars Olsen, Patrik Rydberg, 2013, Molecular pharmaceutics.

Predicting Drug Metabolism by Cytochrome P450 2C9: Comparison with the 2D6 and 3A4 Isoforms

Lars Olsen, Patrik Rydberg, L. Olsen, 2012, ChemMedChem.

Ligand-Based Site of Metabolism Prediction for Cytochrome P450 2D6.

Lars Olsen, Patrik Rydberg, L. Olsen, 2012, ACS medicinal chemistry letters.

Enrichment of True Positives from Structural Alerts Through the Use of Novel Atomic Fragment Based Descriptors

Patrik Rydberg, Anthony Long, 2013, Molecular informatics.

Fast Prediction of Cytochrome P450 Mediated Drug Metabolism

Chris Oostenbrink, Lars Olsen, Patrik Rydberg, 2009, ChemMedChem.

On the role of the axial ligand in heme proteins: a theoretical study

Patrik Rydberg, Ulf Ryde, Emma Sigfridsson, 2004, JBIC Journal of Biological Inorganic Chemistry.

Sulfoxide, Sulfur, and Nitrogen Oxidation and Dealkylation by Cytochrome P450.

Lars Olsen, Patrik Rydberg, Ulf Ryde, 2008, Journal of chemical theory and computation.

Application of Q2MM to Stereoselective Reactions

Patrik Rydberg, Per-Ola Norrby, Sten O. Nilsson Lill, 2010 .

Trends in predicted chemoselectivity of cytochrome P450 oxidation: B3LYP barrier heights for epoxidation and hydroxylation reactions.

Lars Olsen, Patrik Rydberg, Richard Lonsdale, 2014, Journal of molecular graphics & modelling.

Quantum-mechanical studies of reactions performed by cytochrome P450 enzymes

Patrik Rydberg, Ulf Ryde, U. Ryde, 2012 .

Dynamics of water molecules in the active-site cavity of human cytochromes P450.

Lars Olsen, Patrik Rydberg, Ulf Ryde, 2007, The journal of physical chemistry. B.

Transition-State Docking of Flunitrazepam and Progesterone in Cytochrome P450.

Lars Olsen, Patrik Rydberg, Jacob Kongsted, 2008, Journal of chemical theory and computation.

Prediction of activation energies for aromatic oxidation by cytochrome P450.

Lars Olsen, Patrik Rydberg, Ulf Ryde, 2008, The journal of physical chemistry. A.

Prediction of activation energies for hydrogen abstraction by cytochrome p450.

Lars Olsen, Patrik Rydberg, Ulf Ryde, 2006, Journal of medicinal chemistry.

Implicit versus explicit solvent in free energy calculations of enzyme catalysis: Methyl transfer catalyzed by catechol O-methyltransferase.

Patrik Rydberg, Ulf Ryde, U. Ryde, 2006, The Journal of chemical physics.

General Transition-State Force Field for Cytochrome P450 Hydroxylation.

Lars Olsen, Patrik Rydberg, Per-Ola Norrby, 2007, Journal of chemical theory and computation.

SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism.

David E. Gloriam, Lars Olsen, Patrik Rydberg, 2010, ACS medicinal chemistry letters.