Substrate tunnels in enzymes: Structure-function relationships and computational methodology
出版年份 2015 全文链接
标题
Substrate tunnels in enzymes: Structure-function relationships and computational methodology
作者
关键词
-
出版物
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
Volume 83, Issue 4, Pages 599-611
出版商
Wiley
发表日期
2015-02-07
DOI
10.1002/prot.24772
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- (2014) Laura J. Kingsley et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Atomic Picture of Ligand Migration in Toluene 4-Monooxygenase
- (2014) Ali Hosseini et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Ensemble Generation and the Influence of Protein Flexibility on Geometric Tunnel Prediction in Cytochrome P450 Enzymes
- (2014) Laura J. Kingsley et al. PLoS One
- Binding of Pro-Gly-Pro at the active site of leukotriene A4 hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor
- (2014) A. Stsiapanava et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Gates of Enzymes
- (2013) Artur Gora et al. CHEMICAL REVIEWS
- Selective transport through a model calcium channel studied by Local Equilibrium Monte Carlo simulations coupled to the Nernst–Planck equation
- (2013) Dezső Boda et al. JOURNAL OF MOLECULAR LIQUIDS
- MOLE 2.0: advanced approach for analysis of biomacromolecular channels
- (2013) David Sehnal et al. Journal of Cheminformatics
- A molecular pathway for the egress of ammonia produced by nitrogenase
- (2013) Ian Dance Scientific Reports
- Allostery and the Monod-Wyman-Changeux Model After 50 Years
- (2012) Jean-Pierre Changeux Annual Review of Biophysics
- Structural determinants of substrate specificity in aldehyde dehydrogenases
- (2012) Héctor Riveros-Rosas et al. CHEMICO-BIOLOGICAL INTERACTIONS
- Structural and Dynamic Basis of Human Cytochrome P450 7B1: A Survey of Substrate Selectivity and Major Active Site Access Channels
- (2012) Ying-Lu Cui et al. CHEMISTRY-A EUROPEAN JOURNAL
- Is There a Relationship Between the Substrate Preferences and Structural Flexibility of Cytochromes P450?
- (2012) Michal Otyepka et al. CURRENT DRUG METABOLISM
- Insights into the Substrate Specificity of a Thioesterase Rv0098 ofMycobacterium Tuberculosisthrough X-ray Crystallographic and Molecular Dynamics Studies
- (2012) Koustav Maity et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Influence of the Membrane Lipophilic Environment on the Structure and on the Substrate Access/Egress Routes of the Human Aromatase Enzyme. A Computational Study
- (2012) Jacopo Sgrignani et al. Journal of Chemical Information and Modeling
- BDflex: A method for efficient treatment of molecular flexibility in calculating protein-ligand binding rate constants from Brownian dynamics simulations
- (2012) Nicholas Greives et al. JOURNAL OF CHEMICAL PHYSICS
- Motion and Flexibility in Human Cytochrome P450 Aromatase
- (2012) Wenhua Jiang et al. PLoS One
- CAVER 3.0: A Tool for the Analysis of Transport Pathways in Dynamic Protein Structures
- (2012) Eva Chovancova et al. PLoS Computational Biology
- Catalytic versus Inhibitory Promiscuity in Cytochrome P450s: Implications for Evolution of New Function
- (2011) Robert S. Foti et al. BIOCHEMISTRY
- Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme
- (2011) P. Ross Wilderman et al. FEBS Journal
- Long-Range Effects of a Peripheral Mutation on the Enzymatic Activity of Cytochrome P450 1A2
- (2011) Tao Zhang et al. Journal of Chemical Information and Modeling
- Theory and simulation of diffusion-influenced, stochastically gated ligand binding to buried sites
- (2011) Jorge L. Barreda et al. JOURNAL OF CHEMICAL PHYSICS
- Structure and Dynamics of the Membrane-Bound Cytochrome P450 2C9
- (2011) Vlad Cojocaru et al. PLoS Computational Biology
- Protein dynamics and ligand migration interplay as studied by computer simulation
- (2010) Pau Arroyo-Mañez et al. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
- Pharmacophore modeling and applications in drug discovery: challenges and recent advances
- (2010) Sheng-Yong Yang DRUG DISCOVERY TODAY
- The structure of maize polyamine oxidase K300M mutant in complex with the natural substrates provides a snapshot of the catalytic mechanism of polyamine oxidation
- (2010) Annarita Fiorillo et al. FEBS Journal
- Induced-fit upon Ligand Binding Revealed by Crystal Structures of the Hot-dog Fold Thioesterase in Dynemicin Biosynthesis
- (2010) Chong Wai Liew et al. JOURNAL OF MOLECULAR BIOLOGY
- The influence of key residues in the tunnel entrance and the active site on activity and selectivity of toluene-4-monooxygenase
- (2010) Moran Brouk et al. JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC
- POVME: An algorithm for measuring binding-pocket volumes
- (2010) Jacob D. Durrant et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Pathways and Mechanisms for Product Release in the Engineered Haloalkane Dehalogenases Explored Using Classical and Random Acceleration Molecular Dynamics Simulations
- (2009) Martin Klvana et al. JOURNAL OF MOLECULAR BIOLOGY
- Theoretical Characterization of Substrate Access/Exit Channels in the Human Cytochrome P450 3A4 Enzyme: Involvement of Phenylalanine Residues in the Gating Mechanism
- (2009) Dan Fishelovitch et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate
- (2009) Martina Pavlova et al. Nature Chemical Biology
- Molecular Dynamics Simulation of Ligand Dissociation from Liver Fatty Acid Binding Protein
- (2009) Dong Long et al. PLoS One
- Ligand Escape Pathways and (Un)Binding Free Energy Calculations for the Hexameric Insulin-Phenol Complex
- (2008) Harish Vashisth et al. BIOPHYSICAL JOURNAL
- Identification and Analysis of Conserved Sequence Motifs in Cytochrome P450 Family 2
- (2008) Numan Oezguen et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9, and 2A6, which Correlate with Their Substrate Preferences
- (2008) Josef Skopalík et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Structural consequences of effector protein complex formation in a diiron hydroxylase
- (2008) L. J. Bailey et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- MolAxis: Efficient and accurate identification of channels in macromolecules
- (2008) Eitan Yaffe et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- A Quantitative Index of Substrate Promiscuity†
- (2007) Abhinav Nath et al. BIOCHEMISTRY
- Sequence of the lid affects activity and specificity of Candida rugosa lipase isoenzymes
- (2003) Stefania Brocca et al. PROTEIN SCIENCE
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