Related references
Note: Only part of the references are listed.SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism
Patrik Rydberg et al.
ACS MEDICINAL CHEMISTRY LETTERS (2010)
Site of metabolism prediction for six biotransformations mediated by cytochromes P450
Mingyue Zheng et al.
BIOINFORMATICS (2009)
CypScore: Quantitative Prediction of Reactivity toward Cytochrornes P450 Based on Semiempirical Molecular Orbital Theory
Matthias Hennemann et al.
CHEMMEDCHEM (2009)
Human cytochromes P450 in the metabolism of drugs: new molecular models of enzyme-substrate interactions
David F. V. Lewis et al.
EXPERT OPINION ON DRUG METABOLISM & TOXICOLOGY (2008)
Sulfoxide, sulfur, and nitrogen oxidation and dealkylation by cytochrome P450
Patrik Rydberg et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Prediction of Activation Energies for Aromatic Oxidation by Cytochrome P450
Patrik Rydberg et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Prediction of activation energies for hydrogen abstraction by cytochrome P450
Lars Olsen et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
Blue Obelisk - Interoperability in chemical informatics
Rajarshi Guha et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2006)
Recent developments of the Chemistry Development Kit (CDK) - An open-source Java library for chemo- and bioinformatics
C Steinbeck et al.
CURRENT PHARMACEUTICAL DESIGN (2006)
Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes
S Shaik et al.
CHEMICAL REVIEWS (2005)
The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics
C Steinbeck et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)
Computational models for cytochrome P450: A predictive electronic model for aromatic oxidation and hydrogen atom abstraction
JP Jones et al.
DRUG METABOLISM AND DISPOSITION (2002)