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List of works by Jürgen Pleiss

(S)-Selective MenD variants from Escherichia coli provide access to new functionalized chiral α-hydroxy ketones

scientific article published in March 2013

A Tailor-Made Chimeric Thiamine Diphosphate Dependent Enzyme for the Direct Asymmetric Synthesis of (S)-Benzoins

article

A model of dirigent proteins derived from structural and functional similarities with allene oxide cyclase and lipocalins

scientific article

A molecular mechanism of enantiorecognition of tertiary alcohols by carboxylesterases

scientific article

A natural variant of the heme-binding signature (R441C) resulting in complete loss of function of CYP2D6

scientific article published on 25 April 2007

A standard numbering scheme for thiamine diphosphate-dependent decarboxylases

scientific article

Activation-independent cyclization of monoterpenoids

scientific article

Activity of lipases and esterases towards tertiary alcohols: insights into structure-function relationships

scientific article published on 01 September 2002

Alteration of the Route to Menaquinone towards Isochorismate-Derived Metabolites

scientific article published on 24 May 2019

Altering the regioselectivity of the subterminal fatty acid hydroxylase P450 BM-3 towards gamma- and delta-positions

scientific article

An Efficient Route to Selective Bio‐oxidation Catalysts: an Iterative Approach Comprising Modeling, Diversification, and Screening, Based on CYP102A1 ⬇️

scientific article published on May 17, 2011

Analysis of the distribution of functionally relevant rare codons

scientific article

Anatomy of lipase binding sites: the scissile fatty acid binding site ⬇️

scientific article published on June 1, 1998

Anchoring effects in a wide binding pocket: the molecular basis of regioselectivity in engineered cytochrome P450 monooxygenase from B. megaterium.

scientific article published in November 2008

Asymmetric Enzymatic Hydration of Unactivated, Aliphatic Alkenes

scientific article published on 30 November 2018

Asymmetric Enzymatic Hydration of Unactivated, Aliphatic Alkenes

Binding of Solvent Molecules to a Protein Surface in Binary Mixtures Follows a Competitive Langmuir Model

scientific article published on 13 August 2016

BioCatNet: A Database System for the Integration of Enzyme Sequences and Biocatalytic Experiments

scientific article

Biocatalytic synthesis of polyesters from sugar-based building blocks using immobilized Candida antarctica lipase B

article by David I. Habeych et al published August 2011 in Journal of Molecular Catalysis B: Enzymatic

Blocking the tunnel: engineering of Candida rugosa lipase mutants with short chain length specificity

scientific article

Chorismatases - the family is growing

scientific article published on 01 February 2019

Combined Linear Interaction Energy and Alchemical Solvation Free-Energy Approach for Protein-Binding Affinity Computation

scientific article published on 21 January 2020

Computational tools for rational protein engineering of aldolases

scientific article

Congenital adrenal hyperplasia: the molecular basis of 21-hydroxylase deficiency in H-2(aw18) mice

scientific article published on 24 February 2005

Conservation analysis of class-specific positions in cytochrome P450 monooxygenases: functional and structural relevance

scientific article published on 17 October 2013

Conserved water molecules stabilize the Omega-loop in class A beta-lactamases

scientific article published on 14 January 2008

Correction: Prediction and analysis of the modular structure of cytochrome P450 monooxygenases

scientific article published on 25 April 2012

Corrigendum: A Tailor-Made Chimeric Thiamine Diphosphate Dependent Enzyme for the Direct Asymmetric Synthesis of (S)-Benzoins

article

Crossing the Border: From Keto- to Imine Reduction in Short-Chain Dehydrogenases/Reductases

scientific article published on 21 April 2020

DWARF--a data warehouse system for analyzing protein families.

scientific article

Determinants and Prediction of Esterase Substrate Promiscuity Patterns.

scientific article published on 28 November 2017

Effects of methanol on lipases: molecular, kinetic and process issues in the production of biodiesel.

scientific article

Ein maßgeschneidertes chimäres Thiamindiphosphat-abhängiges Enzym zur direkten asymmetrischen Synthese von (S)-Benzoinen

article

Enantioselective Benzylic Hydroxylation Catalysed by P450 Monooxygenases: Characterisation of a P450cam Mutant Library and Molecular Modelling

scientific article published on 23 December 2015

Engineering of Thermostable β-Hydroxyacid Dehydrogenase for the Asymmetric Reduction of Imines

scientific article published on 16 September 2020

Engineering stereoselectivity of ThDP-dependent enzymes

scientific article published on 13 September 2013

Enzymatic Production of Biodiesel: Strategies to Overcome Methanol Inactivation.

scientific article published on 20 February 2018

Enzyme Toolbox: Novel Enantiocomplementary Imine Reductases

scientific article published on 27 August 2014

EnzymeML: seamless data flow and modeling of enzymatic data

scientific article published on 9 February 2023

Evolution of stability in a cold-active enzyme elicits specificity relaxation and highlights substrate-related effects on temperature adaptation

scientific article

Expansin Engineering Database: A navigation and classification tool for expansins and homologues

scientific article published on 30 August 2020

Factors mediating activity, selectivity, and substrate specificity for the thiamin diphosphate-dependent enzymes benzaldehyde lyase and benzoylformate decarboxylase.

scientific article published in December 2006

How to find soluble proteins: a comprehensive analysis of alpha/beta hydrolases for recombinant expression in E. coli

scientific article

Identification of Selectivity Determinants in CYP Monooxygenases by Modelling and Systematic Analysis of Sequence and Structure ⬇️

scientific article published on February 1, 2012

Identification of imine reductase-specific sequence motifs

scientific article published on 9 February 2016

Identification of selectivity-determining residues in cytochrome P450 monooxygenases: a systematic analysis of the substrate recognition site 5

scientific article published on 01 March 2009

Identification of universal selectivity-determining positions in cytochrome P450 monooxygenases by systematic sequence-based literature mining

scientific article

Incomplete mixing versus clathrate-like structures: a molecular view on hydrophobicity in methanol-water mixtures

scientific article published on 18 May 2013

Insight into the mechanism of the IMP-1 metallo-beta-lactamase by molecular dynamics simulations

scientific article

Interpretation of cytochrome P450 monooxygenase kinetics by modeling of thermodynamic activity

scientific article published on 2 March 2018

Mapping of a hapten-binding site: molecular modeling and site-directed mutagenesis study of an anti-atrazine antibody

scientific article

MenD from Bacillus subtilis : A Potent Catalyst for the Enantiocomplementary Asymmetric Synthesis of Functionalized α-Hydroxy Ketones

article

Meta-analysis of viscosity of aqueous deep eutectic solvents and their components

scientific article published on 07 December 2020

Modeling of solvent-dependent conformational transitions in Burkholderia cepacia lipase

scientific article

Modeling structure and flexibility of Candida antarctica lipase B in organic solvents

scientific article

Modelling of Lysozyme Binding to a Cation Exchange Surface at Atomic Detail: The Role of Flexibility ⬇️

scientific article published on June 22, 2011

Modelling of substrate access and substrate binding to cephalosporin acylases

scientific article published on 27 August 2019

Modelling substrate specificity and enantioselectivity for lipases and esterases by substrate-imprinted docking

scientific article

Molecular Mechanism of Methanol Inhibition in CALB-Catalyzed Alcoholysis: Analyzing Molecular Dynamics Simulations by a Markov State Model

scientific article published on 08 September 2021

Molecular Modeling of Lipase Binding to a Substrate–Water Interface ⬇️

scientific article published on January 1, 2012

Molecular Surface Maps.

scientific article published on January 2017

Molecular dynamics simulations of self-emulsifying drug-delivery systems (SEDDS): influence of excipients on droplet nanostructure and drug localization

scientific article published on 11 July 2014

Molecular mechanism of deactivation of C. antarctica lipase B by methanol

scientific article published on 19 October 2013

Molecular mechanism of the hydration of Candida antarctica lipase B in the gas phase: Water adsorption isotherms and molecular dynamics simulations

article

Molecular modeling of family GH16 glycoside hydrolases: potential roles for xyloglucan transglucosylases/hydrolases in cell wall modification in the poaceae

scientific article published on December 2004

Molecular modelling of the mass density of single proteins

scientific article

Multicopper oxidases: modular structure, sequence space and evolutionary relationships

scientific article published on 23 May 2020

Multiple molecular dynamics simulations of TEM beta-lactamase: dynamics and water binding of the omega-loop

scientific article published on November 2009

Multiple molecular dynamics simulations of human p450 monooxygenase CYP2C9: the molecular basis of substrate binding and regioselectivity toward warfarin

scientific article published on 01 July 2006

Navigating within thiamine diphosphate-dependent decarboxylases: Sequences, structures, functional positions, and binding sites

scientific article published on 20 May 2019

Network Analysis of Sequence-Function Relationships and Exploration of Sequence Space of TEM β-Lactamases

scientific article

New imine-reducing enzymes from β-hydroxyacid dehydrogenases by single amino acid substitutions

scientific article published on 01 April 2018

Novel single-chain Fv' formats for the generation of immunoliposomes by site-directed coupling

scientific article published on 8 November 2007

Percolation in protein sequence space.

scientific article published on 20 December 2017

Potent Mechanism-Based Inhibition of Human CYP2B6 by Clopidogrel and Ticlopidine ⬇️

scientific article published on October 16, 2003

Prediction and analysis of the modular structure of cytochrome P450 monooxygenases ⬇️

scientific article published on October 15, 2010

Progress Curve Analysis Within BioCatNet: Comparing Kinetic Models for Enzyme-Catalyzed Self-Ligation

scientific article published on 26 July 2018

Protein design in metabolic engineering and synthetic biology ⬇️

scientific article published on April 20, 2011

Protein variants form a system of networks: microdiversity of IMP metallo-beta-lactamases

scientific article

Rational design of Pseudozyma antarctica lipase B yielding a general esterification catalyst

scientific article

Rational design of a minimal and highly enriched CYP102A1 mutant library with improved regio-, stereo- and chemoselectivity

scientific article

Rational design of a new one-step purification strategy for Candida antarctica lipase B by ion-exchange chromatography

scientific article published on 7 December 2007

Rational protein design of ThDP-dependent enzymes-engineering stereoselectivity

scientific article

Regioselectivity of CYP2B6: homology modeling, molecular dynamics simulation, docking

scientific article published on 15 November 2002

S-Selective Mixed Carboligation by Structure-Based Design of the Pyruvate Decarboxylase from Acetobacter pasteurianus

Screening of a minimal enriched P450 BM3 mutant library for hydroxylation of cyclic and acyclic alkanes ⬇️

scientific article published on November 15, 2010

Selective Catalytic Oxidation of CH Bonds with Molecular Oxygen

Selective allylic hydroxylation of acyclic terpenoids by CYP154E1 from Thermobifida fusca YX

scientific article published on 13 June 2014

Self-Assembly Nanostructures of Triglyceride-Water Interfaces Determine Functional Conformations of Candida antarctica Lipase B.

scientific article

Semirational Protein Engineering of CYP153AM.aq. -CPRBM3 for Efficient Terminal Hydroxylation of Short- to Long-Chain Fatty Acids

scientific article

Sequence and structure of epoxide hydrolases: a systematic analysis

scientific article published in June 2004

Simulation Foundry: Automated and F.A.I.R. Molecular Modeling

scientific article published on 02 April 2020

Simulation of protein association: Kinetic pathways towards crystal contacts

Simulation of protein diffusion: a sensitive probe of protein-solvent interactions

Solvent Flux Method (SFM): A Case Study of Water Access to Candida antarctica Lipase B.

scientific article

Solvent‐induced lid opening in lipases: A molecular dynamics study ⬇️

scientific article published on November 1, 2010

Structural classification by the Lipase Engineering Database: a case study of Candida antarctica lipase A

scientific article

Substrate specificity of lipase B from Candida antarctica in the synthesis of arylaliphatic glycolipids

Systematic Evaluation of Imine-Reducing Enzymes Common Principles in Imine Reductases, β-Hydroxyacid Dehydrogenases, and Short-Chain Dehydrogenases/Reductases

scientific article published on 20 April 2020

Systematic analysis of metallo-β-lactamases using an automated database

scientific article published on 30 April 2012

Systematic benchmarking of large molecular dynamics simulations employing GROMACS on massive multiprocessing facilities ⬇️

scientific article published on 01 September 2010

Tailoring theS-Selectivity of 2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate Synthase (MenD) fromEscherichia coli

article

Terpene Cyclizations inside a Supramolecular Catalyst: Leaving-Group-Controlled Product Selectivity and Mechanistic Studies.

scientific article published on 7 June 2017

The GH19 Engineering Database: Sequence diversity, substrate scope, and evolution in glycoside hydrolase family 19

scientific article published on 26 October 2021

The Laccase Engineering Database: a classification and analysis system for laccases and related multicopper oxidases

scientific article published on 15 April 2011

The Lactamase Engineering Database: a critical survey of TEM sequences in public databases

scientific article

The Lipase Engineering Database: a navigation and analysis tool for protein families

scientific article published on January 2003

The Medium-Chain Dehydrogenase/reductase Engineering Database: a systematic analysis of a diverse protein family to understand sequence-structure-function relationship

scientific article published on 9 July 2008

The PHA Depolymerase Engineering Database: A systematic analysis tool for the diverse family of polyhydroxyalkanoate (PHA) depolymerases

scientific article

The Short-chain Dehydrogenase/Reductase Engineering Database (SDRED): A classification and analysis system for a highly diverse enzyme family

scientific article published on 25 February 2019

The Structural Dynamics of Engineered β-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function

scientific article published on 30 April 2019

The Thiamine diphosphate dependent Enzyme Engineering Database: a tool for the systematic analysis of sequence and structure relations

scientific article

The cytochrome P450 engineering database: Integration of biochemical properties

scientific article

The database of epoxide hydrolases and haloalkane dehalogenases: one structure, many functions

scientific article published on 29 April 2004

The effect of thermodynamic properties of solvent mixtures explains the difference between methanol and ethanol in C.antarctica lipase B catalyzed alcoholysis

The isoelectric region of proteins: a systematic analysis

scientific article

The modular structure of ThDP-dependent enzymes

scientific article published on 09 June 2014

The modular structure of α/β-hydrolases

scientific article published on 10 October 2019

The promise of synthetic biology

scientific article published on December 2006

The scale-free nature of protein sequence space

scientific article published in PLoS ONE

The triterpene cyclase protein family: A systematic analysis ⬇️

scientific article published on May 15, 2012

The ω-Transaminase Engineering Database (oTAED): A navigation tool in protein sequence and structure space

scientific article published on 8 February 2018

Thermodynamic Activity-Based Interpretation of Enzyme Kinetics

scientific article published on 9 February 2017

Thermodynamic Activity-Based Progress Curve Analysis in Enzyme Kinetics

scientific article published on 26 October 2017

Thermophysical properties of glyceline-water mixtures investigated by molecular modelling

scientific article published on 06 March 2019

Towards a Mechanistic Understanding of Factors Controlling the Stereoselectivity of Transketolase

Visual Analysis of Large‐Scale Protein‐Ligand Interaction Data

scientific article published on 2 August 2021

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