Related references
Note: Only part of the references are listed.QM/MM Study of the Enzymatic Biodegradation Mechanism of Polyethylene Terephthalate
Sergio Boneta et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2021)
Assessment of the PETase conformational changes induced by poly(ethylene terephthalate) binding
Clauber Henrique Souza da Costa et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2021)
Reaction Mechanism of MHETase, a PET Degrading Enzyme
Alexandre V. Pinto et al.
ACS CATALYSIS (2021)
Review on plastic wastes in marine environment - Biodegradation and biotechnological solutions
Ganesh A. Kumar et al.
MARINE POLLUTION BULLETIN (2020)
Efficient biodegradation of highly crystallized polyethylene terephthalate through cell surface display of bacterial PETase
Zhuozhi Chen et al.
SCIENCE OF THE TOTAL ENVIRONMENT (2020)
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
Thomas D. Kuehne et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Characterization and engineering of a two-enzyme system for plastics depolymerization
Brandon C. Knott et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)
Assessment of GAFF2 and OPLS-AA General Force Fields in Combination with the Water Models TIP3P, SPCE, and OPC3 for the Solvation Free Energy of Druglike Organic Molecules
Dario Vassetti et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Biodegradation of PET: Current Status and Application Aspects
Ikuo Taniguchi et al.
ACS CATALYSIS (2019)
In silico Screening and Heterologous Expression of a Polyethylene Terephthalate Hydrolase (PETase)-Like Enzyme (SM14est) With Polycaprolactone (PCL)-Degrading Activity, From the Marine Sponge-Derived Strain Streptomyces sp. SM14
Eduardo L. Almeida et al.
FRONTIERS IN MICROBIOLOGY (2019)
Biodegradation of waste PET A sustainable solution for dealing with plastic pollution
Kazumi Hiraga et al.
EMBO REPORTS (2019)
Langevin thermostat for robust configurational and kinetic sampling
Oded Farago
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS (2019)
Production of extracellular PETase from Ideonella sakaiensis using sec-dependent signal peptides in E-coli
Hogyun Seo et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2019)
Biodegradation of polyethylene terephthalate waste using Streptomyces species and kinetic modeling of the process
Ali Farzi et al.
BIOCATALYSIS AND AGRICULTURAL BIOTECHNOLOGY (2019)
Active Site Flexibility as a Hallmark for Efficient PET Degradation by I-sakaiensis PETase
Tobias Fecker et al.
BIOPHYSICAL JOURNAL (2018)
Protein Crystallography and Site-Direct Mutagenesis Analysis of the Poly(ethylene terephthalate) Hydrolase PETase from Ideonella sakaiensis
Bing Liu et al.
CHEMBIOCHEM (2018)
Protocol for Computational Enzymatic Reactivity Based on Geometry Optimisation
N. M. F. S. A. Cerqueira et al.
CHEMPHYSCHEM (2018)
Characterization and engineering of a plastic-degrading aromatic polyesterase
Harry P. Austin et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
Structural insight into molecular mechanism of poly (ethylene terephthalate) degradation
Seongjoon Joo et al.
NATURE COMMUNICATIONS (2018)
Understanding the Catalytic Machinery and the Reaction Pathway of the Malonyl-Acetyl Transferase Domain of Human Fatty Acid Synthase
Pedro Paiva et al.
ACS CATALYSIS (2018)
QM/MM Study of the Reaction Mechanism of the Dehydratase Domain from Mammalian Fatty Acid Synthase
Fabiola E. Medina et al.
ACS CATALYSIS (2018)
Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms
Sergio Filipe Sousa et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2017)
A QM/MM study of the reaction mechanism of human β-ketoacyl reductase
Fabiola E. Medina et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Structural insight into catalytic mechanism of PET hydrolase
Xu Han et al.
NATURE COMMUNICATIONS (2017)
Microbial enzymes for the recycling of recalcitrant petroleum-based plastics: how far are we?
Ren Wei et al.
MICROBIAL BIOTECHNOLOGY (2017)
Biocatalysis as a green route for recycling the recalcitrant plastic polyethylene terephthalate
Ren Wei et al.
MICROBIAL BIOTECHNOLOGY (2017)
A bacterium that degrades and assimilates poly(ethylene terephthalate)
Shosuke Yoshida et al.
SCIENCE (2016)
Computational Assignment of the Histidine Protonation State in (6-4) Photolyase Enzyme and Its Effect on the Protonation Step
Hisham M. Dokainish et al.
ACS CATALYSIS (2016)
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
James A. Maier et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
How the Same Core Catalytic Machinery Catalyzes 17 Different Reactions: the Serine-Histidine-Aspartate Catalytic Triad of α/β-Hydrolase Fold Enzymes
Alissa Rauwerdink et al.
ACS CATALYSIS (2015)
A Cutinase from Trichoderma reesei with a Lid-Covered Active Site and Kinetic Properties of True Lipases
Alain Roussel et al.
JOURNAL OF MOLECULAR BIOLOGY (2014)
The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies
Brandon C. Knott et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Effects of histidine protonation and rotameric states on virtual screening of M-tuberculosis RmlC
Meekyum Olivia Kim et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2013)
Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKa Values
Chresten R. Sondergaard et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions
Mats H. M. Olsson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
QM/MM Methods for Biomolecular Systems
Hans Martin Senn et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Exploring protein fitness landscapes by directed evolution
Philip A. Romero et al.
NATURE REVIEWS MOLECULAR CELL BIOLOGY (2009)
Generalized hybrid-orbital method for combining density functional theory with molecular mechanicals
JZ Pu et al.
CHEMPHYSCHEM (2005)
Share Paper
