{ "types" : { "Bookmark" : { "pluralLabel" : "Bookmarks" }, "Publication" : { "pluralLabel" : "Publications" }, "GoldStandardPublication" : { "pluralLabel" : "GoldStandardPublications" }, "GoldStandardBookmark" : { "pluralLabel" : "GoldStandardBookmarks" }, "Tag" : { "pluralLabel" : "Tags" }, "User" : { "pluralLabel" : "Users" }, "Group" : { "pluralLabel" : "Groups" }, "Sphere" : { "pluralLabel" : "Spheres" } }, "properties" : { "count" : { "valueType" : "number" }, "date" : { "valueType" : "date" }, "changeDate" : { "valueType" : "date" }, "url" : { "valueType" : "url" }, "id" : { "valueType" : "url" }, "tags" : { "valueType" : "item" }, "user" : { "valueType" : "item" } }, "items" : [ { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2508330b0e707cab72cde85d5372b57b3/simtech", "tags" : [ "EXC2075","PN2","PN2-6","PN2-6(II)","curated" ], "intraHash" : "508330b0e707cab72cde85d5372b57b3", "interHash" : "ad7bfdc8362fd60c6ac228ce98e15c8c", "label" : "Digitalization of biocatalysis: Best practices to research data management", "user" : "simtech", "description" : "", "date" : "2025-02-14 09:31:47", "changeDate" : "2025-02-28 16:08:06", "count" : 3, "pub-type": "incollection", "series": "Methods in Enzymology","publisher":"Academic Press", "year": "2025", "url": "https://www.sciencedirect.com/science/article/pii/S0076687925000606", "author": [ "Torsten Giess","Jürgen Pleiss" ], "authors": [ {"first" : "Torsten", "last" : "Giess"}, {"first" : "Jürgen", "last" : "Pleiss"} ], "abstract": "The digitalization of biocatalysis presents significant opportunities for advancing research by improving data management, fostering transparency, and enabling more efficient, reproducible experiments. However, this transformation brings challenges, particularly in standardizing and sharing data across diverse platforms and laboratory settings. Managing experimental data and metadata in structured, machine-readable formats is fundamental for integrating automation, while mechanistic modeling and artificial intelligence applications further benefit from well-curated datasets. Creating sustainable, reusable software is also key to the long-term success of biocatalysis projects. Yet, efficient data acquisition remains limited by the lack of universally accepted data formats for analytical instruments. To address these barriers, the best practices presented here focus on optimizing biocatalysis workflows for the FAIR (Findable, Accessible, Interoperable, Reusable) data principles. This includes adopting standardized data exchange formats and sharing reproducible datasets in public repositories, thus enhancing interoperability and reusability. By following these guidelines, researchers can contribute to the digitalization of biocatalysis, facilitating the knowledge sharing and data reuse necessary to support the transition of biocatalysis into a more data-driven field.", "issn" : "0076-6879", "doi" : "https://doi.org/10.1016/bs.mie.2025.01.040", "bibtexKey": "GIESS2025" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2a3694399a83c9346ae66fe151dce7e94/simtech", "tags" : [ "EXC2075","PN2","PN2-6","PN2-6(II)","PN3","PN3-8","curated" ], "intraHash" : "a3694399a83c9346ae66fe151dce7e94", "interHash" : "975d837ae55dd9dd3eb9e564fd6913c5", "label" : "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations", "user" : "simtech", "description" : "", "date" : "2025-01-15 14:10:49", "changeDate" : "2025-02-25 11:26:00", "count" : 6, "pub-type": "article", "journal": "Fluid Phase Equilibria", "year": "2025", "url": "https://www.sciencedirect.com/science/article/pii/S0378381224002991", "author": [ "Marcelle B.M. Spera","Samir Darouich","Jürgen Pleiss","Niels Hansen" ], "authors": [ {"first" : "Marcelle B.M.", "last" : "Spera"}, {"first" : "Samir", "last" : "Darouich"}, {"first" : "Jürgen", "last" : "Pleiss"}, {"first" : "Niels", "last" : "Hansen"} ], "volume": "592","pages": "114324","abstract": "Molecular simulations allow the prediction of a large variety of thermophysical properties for complex mixtures based on one underlying model, i.e. the force field. In the present work static and dynamic properties of aqueous 1:2 choline chloride:glycerol mixtures are computed by molecular dynamics simulations with the aim to report robust simulation protocols that allow for a thorough evaluation of the molecular model with regard to experimental data. In particular for the shear viscosity a rather strong dependence of the results on the simulation method can be found. The simulations do not only provide quantitative data but also insight into the effect of water on the microscopic structure of the fluid. The isobaric thermal expansivity shows a transition from DES-like to water-like behavior beyond a water mole fraction of 0.75. Moreover, inconsistencies in experimental datasets are identified. Molecular dynamics simulations serve as a powerful tool to support the decision for one or the other data set in case of contradictory experimental data.", "issn" : "0378-3812", "orcid" : "0000-0003-1045-8202", "doi" : "https://doi.org/10.1016/j.fluid.2024.114324", "bibtexKey": "SPERA2025114324" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/24a122061de06137fc1895607c95226f1/simtech", "tags" : [ "PN2","PN2-6","curated" ], "intraHash" : "4a122061de06137fc1895607c95226f1", "interHash" : "c95189d52d2ce9bdf72132f187c89b32", "label" : "Research Data Management in Simulation Science: Infrastructure, Tools, and Applications", "user" : "simtech", "description" : "", "date" : "2024-12-09 11:16:19", "changeDate" : "2025-01-27 13:14:14", "count" : 11, "pub-type": "article", "journal": "Datenbank-Spektrum", "year": "2024", "url": "https://doi.org/10.1007/s13222-024-00475-4", "author": [ "Bernd Flemisch","Sibylle Hermann","Melanie Herschel","Dirk Pflüger","Jürgen Pleiss","Jan Range","Sarbani Roy","Makoto Takamoto","Benjamin Uekermann" ], "authors": [ {"first" : "Bernd", "last" : "Flemisch"}, {"first" : "Sibylle", "last" : "Hermann"}, {"first" : "Melanie", "last" : "Herschel"}, {"first" : "Dirk", "last" : "Pflüger"}, {"first" : "Jürgen", "last" : "Pleiss"}, {"first" : "Jan", "last" : "Range"}, {"first" : "Sarbani", "last" : "Roy"}, {"first" : "Makoto", "last" : "Takamoto"}, {"first" : "Benjamin", "last" : "Uekermann"} ], "volume": "24","pages": "97\u2013105","abstract": "Research Data Management (RDM) has gained significant traction in recent years, being essential to allowing research data to be, e.g., findable, accessible, interoperable, and reproducible (FAIR), thereby fostering collaboration or accelerating scientific findings. We present solutions for RDM developed within the DFG-Funded Cluster of Excellence EXC2075 Data-Integrated Simulation Science (SimTech). After an introduction to the scientific context and challenges faced by simulation scientists, we outline the general data management infrastructure and present tools that address these challenges. Exemplary domain applications demonstrate the use and benefits of the proposed data management software solutions. These are complemented by additional measures for enablement and dissemination to foster the adoption of these techniques.", "orcid" : "0000-0003-1045-8202", "issn" : "16101995", "refid" : "Flemisch2024", "doi" : "10.1007/s13222-024-00475-4", "bibtexKey": "flemisch2024research" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/26d49d6168fbd9ade1c6bc3cb269fa09f/simtech", "tags" : [ "EXC2075","PN2","PN2-6","PN2-6(II)","curated" ], "intraHash" : "6d49d6168fbd9ade1c6bc3cb269fa09f", "interHash" : "a63975933e5fae2b566e573464f01848", "label" : "CANDy: Automated analysis of domain architectures in carbohydrate-active enzymes", "user" : "simtech", "description" : "", "date" : "2024-09-05 15:07:55", "changeDate" : "2025-01-27 13:14:14", "count" : 6, "pub-type": "article", "journal": "PLOS ONE","publisher":"Public Library of Science", "year": "2024", "url": "https://doi.org/10.1371/journal.pone.0306410", "author": [ "Alex Windels","Jorick Franceus","Jürgen Pleiss","Tom Desmet" ], "authors": [ {"first" : "Alex", "last" : "Windels"}, {"first" : "Jorick", "last" : "Franceus"}, {"first" : "Jürgen", "last" : "Pleiss"}, {"first" : "Tom", "last" : "Desmet"} ], "volume": "19","number": "7","pages": "1-16","abstract": "Carbohydrate-active enzymes (CAZymes) can be found in all domains of life and play a crucial role in metabolic and physiological processes. CAZymes often possess a modular structure, comprising not only catalytic domains but also associated domains such as carbohydrate-binding modules (CBMs) and linker domains. By exploring the modular diversity of CAZy families, catalysts with novel properties can be discovered and further insight in their biological functions and evolutionary relationships can be obtained. Here we present the carbohydrate-active enzyme domain analysis tool (CANDy), an assembly of several novel scripts, tools and databases that allows users to analyze the domain architecture of all protein sequences in a given CAZy family. CANDy\u2019s usability is shown on glycoside hydrolase family 48, a small yet underexplored family containing multi-domain enzymes. Our analysis reveals the existence of 35 distinct domain assemblies, including eight known architectures, with the remaining assemblies awaiting characterization. Moreover, we substantiate the occurrence of horizontal gene transfer from prokaryotes to insect orthologs and provide evidence for the subsequent removal of auxiliary domains, likely through a gene fission event. CANDy is available at https://github.com/PyEED/CANDy.", "orcid" : "0000-0003-1045-8202", "doi" : "10.1371/journal.pone.0306410", "bibtexKey": "10.1371/journal.pone.0306410" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2761bb2bdaf8cbc53bae6b22e1ff53064/simtech", "tags" : [ "EXC2075","PN2","PN2-6","PN2-6(II)","curated" ], "intraHash" : "761bb2bdaf8cbc53bae6b22e1ff53064", "interHash" : "38f8013cdc745012a0ad3b963efd2c68", "label" : "FAIR and scalable management of small-angle X-ray scattering data", "user" : "simtech", "description" : "", "date" : "2024-07-16 17:34:22", "changeDate" : "2025-02-03 09:01:17", "count" : 5, "pub-type": "article", "journal": "Journal of Applied Crystallography", "year": "2023", "url": "https://doi.org/10.1107/S1600576723001577", "author": [ "Torsten Giess","Selina Itzigehl","Jan Range","Richard Schömig","Johanna R. Bruckner","Jürgen Pleiss" ], "authors": [ {"first" : "Torsten", "last" : "Giess"}, {"first" : "Selina", "last" : "Itzigehl"}, {"first" : "Jan", "last" : "Range"}, {"first" : "Richard", "last" : "Schömig"}, {"first" : "Johanna R.", "last" : "Bruckner"}, {"first" : "Jürgen", "last" : "Pleiss"} ], "volume": "56","number": "2","pages": "565-575","abstract": "A modular research data management toolbox based on the programming language Python, the widely used computing platform Jupyter Notebook, the standardized data exchange format for analytical data (AnIML) and the generic repository Dataverse has been established and applied to analyze small-angle X-ray scattering (SAXS) data according to the FAIR data principles (findable, accessible, interoperable and reusable). The SAS-tools library is a community-driven effort to develop tools for data acquisition, analysis, visualization and publishing of SAXS data. Metadata from the experiment and the results of data analysis are stored as an AnIML document using the novel Python-native pyAnIML API. The AnIML document, measured raw data and plots resulting from the analysis are combined into an archive in OMEX format and uploaded to Dataverse using the novel easyDataverse API, which makes each data set accessible via a unique DOI and searchable via a structured metadata block. SAS-tools is applied to study the effects of alkyl chain length and counterions on the phase diagrams of alkyltrimethyl\\-ammonium surfactants in order to demonstrate the feasibility and usefulness of a scalable data management workflow for experiments in physical chemistry.", "orcid" : "0000-0003-1045-8202", "doi" : "10.1107/S1600576723001577", "bibtexKey": "Giess:jl5054" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/20cbfb38c667ce84ea8ce418a1d3dafea/simtech", "tags" : [ "EXC2075","PN2","PN2-6","curated" ], "intraHash" : "0cbfb38c667ce84ea8ce418a1d3dafea", "interHash" : "77462f05df223eb8b5d4ca12ed48de1b", "label" : "FAIR Data and Software: Improving Efficiency and Quality of Biocatalytic Science", "user" : "simtech", "description" : "", "date" : "2024-07-16 17:33:05", "changeDate" : "2025-02-03 08:54:04", "count" : 6, "pub-type": "article", "journal": "ACS Catal.","booktitle": "ACS Catalysis","publisher":"American Chemical Society", "year": "2024", "url": "https://doi.org/10.1021/acscatal.3c06337", "author": [ "Jürgen Pleiss" ], "authors": [ {"first" : "Jürgen", "last" : "Pleiss"} ], "volume": "14","number": "4","pages": "2709--2718", "orcid" : "0000-0003-1045-8202", "comment" : "doi: 10.1021/acscatal.3c06337", "doi" : "10.1021/acscatal.3c06337", "bibtexKey": "pleiss2024software" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/247169018754ee922bd8ab8e20c88f1db/simtech", "tags" : [ "EXC2075","PN2","PN2-6","curated" ], "intraHash" : "47169018754ee922bd8ab8e20c88f1db", "interHash" : "bc4bd04a110f268f899ef5e16f067adb", "label" : "Bayesian estimation reveals that reproducible models in Systems Biology get more citations", "user" : "simtech", "description" : "", "date" : "2024-07-16 17:32:23", "changeDate" : "2024-07-19 15:09:42", "count" : 6, "pub-type": "article", "journal": "Scientific reports","publisher":"Springer", "year": "2023", "url": "https://doi.org/10.1038/s41598-023-29340-2", "author": [ "Sebastian Höpfl","Jürgen Pleiss","Nicole E. Radde" ], "authors": [ {"first" : "Sebastian", "last" : "Höpfl"}, {"first" : "Jürgen", "last" : "Pleiss"}, {"first" : "Nicole E.", "last" : "Radde"} ], "volume": "13","pages": "2695", "issn" : "2045-2322", "doi" : "10.1038/s41598-023-29340-2", "bibtexKey": "hopfl2023bayesian" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2af0647cf353fddf17dffd58aaf9383f1/simtech", "tags" : [ "EXC2075","PN2-6","PN3","PN3-6","curated" ], "intraHash" : "af0647cf353fddf17dffd58aaf9383f1", "interHash" : "cca87086f34a88b66a32b67a08536b1b", "label" : "Beyond the Chemical Step: The Role of Substrate Access in Acyltransferase from Mycobacterium smegmatis", "user" : "simtech", "description" : "", "date" : "2024-07-16 16:35:59", "changeDate" : "2024-07-19 15:09:42", "count" : 6, "pub-type": "article", "journal": "ACS Catal.","booktitle": "ACS Catalysis","publisher":"American Chemical Society", "year": "2024", "url": "https://doi.org/10.1021/acscatal.4c00812", "author": [ "Henrique F. Carvalho","Luuk Mestrom","Ulf Hanefeld","Jürgen Pleiss" ], "authors": [ {"first" : "Henrique F.", "last" : "Carvalho"}, {"first" : "Luuk", "last" : "Mestrom"}, {"first" : "Ulf", "last" : "Hanefeld"}, {"first" : "Jürgen", "last" : "Pleiss"} ], "volume": "14","pages": "10077--10088", "orcid" : "0000-0003-1045-8202", "comment" : "doi: 10.1021/acscatal.4c00812", "doi" : "10.1021/acscatal.4c00812", "bibtexKey": "carvalho2024beyond" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2779a4a47514c9889402e09ddb7d4802b/simtech", "tags" : [ "EXC2075","PN2","PN2-6","PN2-6(II)","curated" ], "intraHash" : "779a4a47514c9889402e09ddb7d4802b", "interHash" : "3aa0a31660b9738217832524450abb82", "label" : "MetaConfigurator: A User-Friendly Tool for Editing Structured Data Files", "user" : "simtech", "description" : "", "date" : "2024-07-16 16:21:15", "changeDate" : "2025-01-27 13:14:14", "count" : 6, "pub-type": "article", "journal": "Datenbank-Spektrum", "year": "2024", "url": "https://doi.org/10.1007/s13222-024-00472-7", "author": [ "Felix Neubauer","Paul Bredl","Minye Xu","Keyuriben Patel","Jürgen Pleiss","Benjamin Uekermann" ], "authors": [ {"first" : "Felix", "last" : "Neubauer"}, {"first" : "Paul", "last" : "Bredl"}, {"first" : "Minye", "last" : "Xu"}, {"first" : "Keyuriben", "last" : "Patel"}, {"first" : "Jürgen", "last" : "Pleiss"}, {"first" : "Benjamin", "last" : "Uekermann"} ], "volume": "24","pages": "161\u2013169","abstract": "Textual formats to structure data, such as JSON, XML, and YAML, are widely used for structuring data in various domains, from configuration files to research data. However, manually editing data in these formats can be complex and time-consuming. Graphical user interfaces (GUIs) can significantly reduce manual efforts and assist the user in editing the files, but developing a file-format-specific GUI requires substantial development and maintenance efforts. To address this challenge, we introduce MetaConfigurator: an open-source web application that generates its GUI depending on a given schema. Our approach differs from other schema-to-UI approaches in three key ways: 1) It offers a unified view that combines the benefits of both GUIs and text editors, 2) it enables schema editing within the same tool, and 3) it supports advanced schema features, including conditions and constraints. In this paper, we discuss the design and implementation of MetaConfigurator, backed by insights from a small-scale qualitative user study. The results indicate the effectiveness of our approach in retrieving information from data and schemas and in editing them.", "orcid" : "0000-0003-1045-8202", "issn" : "16101995", "refid" : "Neubauer2024", "doi" : "10.1007/s13222-024-00472-7", "bibtexKey": "neubauer2024metaconfigurator" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2da7e5780849a625563e81173cd58d8af/simtech", "tags" : [ "EXC2075","PN2","PN2-5","PN2-6","PN2-6(II)","curated" ], "intraHash" : "da7e5780849a625563e81173cd58d8af", "interHash" : "f1c9dcbbef1bbfe5bfb78cb5e44fd71a", "label" : "Preferential Self-interaction of DNA Methyltransferase DNMT3A Subunits Containing the R882H Cancer Mutation Leads to Dominant Changes of Flanking Sequence Preferences", "user" : "simtech", "description" : "", "date" : "2023-11-15 17:28:32", "changeDate" : "2024-07-17 11:43:17", "count" : 15, "pub-type": "article", "journal": "Journal of Molecular Biology","publisher":"Elsevier BV", "year": "2022", "url": "https://doi.org/10.1016%2Fj.jmb.2022.167482", "author": [ "Alexandra Mack","Max Emperle","Philipp Schnee","Sabrina Adam","Jürgen Pleiss","Pavel Bashtrykov","Albert Jeltsch" ], "authors": [ {"first" : "Alexandra", "last" : "Mack"}, {"first" : "Max", "last" : "Emperle"}, {"first" : "Philipp", "last" : "Schnee"}, {"first" : "Sabrina", "last" : "Adam"}, {"first" : "Jürgen", "last" : "Pleiss"}, {"first" : "Pavel", "last" : "Bashtrykov"}, {"first" : "Albert", "last" : "Jeltsch"} ], "volume": "434","number": "7","pages": "167482", "doi" : "10.1016/j.jmb.2022.167482", "bibtexKey": "Mack_2022" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2172d1a5fcb5e7c41d7e34c452e656478/simtech", "tags" : [ "EXC2075","PN2","PN2-6","PN2-6(II)","curated" ], "intraHash" : "172d1a5fcb5e7c41d7e34c452e656478", "interHash" : "11d39c7e0cacbf02a40e53ae8d58bd3b", "label" : "EnzymeML: seamless data flow and modeling of enzymatic data", "user" : "simtech", "description" : "", "date" : "2023-11-15 16:53:57", "changeDate" : "2024-07-17 11:40:45", "count" : 6, "pub-type": "article", "journal": "Nature Methods", "year": "2023", "url": "https://doi.org/10.1038/s41592-022-01763-1", "author": [ "Simone Lauterbach","Hannah Dienhart","Jan Range","Stephan Malzacher","Jan-Dirk Spöring","Dörte Rother","Maria Filipa Pinto","Pedro Martins","Colton E. Lagerman","Andreas S. Bommarius","Amalie Vang Høst","John M. Woodley","Sandile Ngubane","Tukayi Kudanga","Frank T. Bergmann","Johann M. Rohwer","Dorothea Iglezakis","Andreas Weidemann","Ulrike Wittig","Carsten Kettner","Neil Swainston","Santiago Schnell","Jürgen Pleiss" ], "authors": [ {"first" : "Simone", "last" : "Lauterbach"}, {"first" : "Hannah", "last" : "Dienhart"}, {"first" : "Jan", "last" : "Range"}, {"first" : "Stephan", "last" : "Malzacher"}, {"first" : "Jan-Dirk", "last" : "Spöring"}, {"first" : "Dörte", "last" : "Rother"}, {"first" : "Maria Filipa", "last" : "Pinto"}, {"first" : "Pedro", "last" : "Martins"}, {"first" : "Colton E.", "last" : "Lagerman"}, {"first" : "Andreas S.", "last" : "Bommarius"}, {"first" : "Amalie Vang", "last" : "Høst"}, {"first" : "John M.", "last" : "Woodley"}, {"first" : "Sandile", "last" : "Ngubane"}, {"first" : "Tukayi", "last" : "Kudanga"}, {"first" : "Frank T.", "last" : "Bergmann"}, {"first" : "Johann M.", "last" : "Rohwer"}, {"first" : "Dorothea", "last" : "Iglezakis"}, {"first" : "Andreas", "last" : "Weidemann"}, {"first" : "Ulrike", "last" : "Wittig"}, {"first" : "Carsten", "last" : "Kettner"}, {"first" : "Neil", "last" : "Swainston"}, {"first" : "Santiago", "last" : "Schnell"}, {"first" : "Jürgen", "last" : "Pleiss"} ], "volume": "20","number": "3","pages": "400--402","abstract": "The design of biocatalytic reaction systems is highly complex owing to the dependency of the estimated kinetic parameters on the enzyme, the reaction conditions, and the modeling method. Consequently, reproducibility of enzymatic experiments and reusability of enzymatic data are challenging. We developed the XML-based markup language EnzymeML to enable storage and exchange of enzymatic data such as reaction conditions, the time course of the substrate and the product, kinetic parameters and the kinetic model, thus making enzymatic data findable, accessible, interoperable and reusable (FAIR). The feasibility and usefulness of the EnzymeML toolbox is demonstrated in six scenarios, for which data and metadata of different enzymatic reactions are collected and analyzed. EnzymeML serves as a seamless communication channel between experimental platforms, electronic lab notebooks, tools for modeling of enzyme kinetics, publication platforms and enzymatic reaction databases. EnzymeML is open and transparent, and invites the community to contribute. All documents and codes are freely available at https://enzymeml.org.", "orcid" : "0000-0003-1045-8202", "issn" : "15487105", "refid" : "Lauterbach2023", "doi" : "10.1038/s41592-022-01763-1", "bibtexKey": "lauterbach2023enzymeml" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/274fd1aeefc0faeda8f2f5a9c47a7bc99/simtech", "tags" : [ "EXC2075","PN2","PN2-6","curated" ], "intraHash" : "74fd1aeefc0faeda8f2f5a9c47a7bc99", "interHash" : "37dc4cc15127901d963c5624d6ff563d", "label" : "Standardized data, scalable documentation, sustainable storage \u2013 EnzymeML as a basis for FAIR data management in biocatalysis", "user" : "simtech", "description" : "", "date" : "2022-01-18 14:11:18", "changeDate" : "2024-06-18 15:00:36", "count" : 7, "pub-type": "article", "journal": "ChemCatChem", "year": "2021", "url": "", "author": [ "Jürgen Pleiss" ], "authors": [ {"first" : "Jürgen", "last" : "Pleiss"} ], "volume": "13","pages": "3909 - 3913", "itb_ag" : "pleiss", "staffids" : "2660", "project" : "enzymeml", "orcid" : "0000-0003-1045-8202", "doi" : "https://doi.org/10.1002/cctc.202100822", "bibtexKey": "Pleiss2021" } , { "type" : "Publication", "id" : "https://puma.ub.uni-stuttgart.de/bibtex/2dc1517985df87e1ccdc3a7f3a6328dc3/simtech", "tags" : [ "PN2-6","EXC2075" ], "intraHash" : "dc1517985df87e1ccdc3a7f3a6328dc3", "interHash" : "a88c53ff2d2ae3cbc7084716de8dbfaa", "label" : "The GH19 Engineering Database: sequence diversity, substrate scope, and evolution in glycoside hydrolase family 19", "user" : "simtech", "description" : "", "date" : "2022-01-18 13:43:23", "changeDate" : "2023-07-31 05:39:08", "count" : 3, "pub-type": "article", "journal": "PLoS One", "year": "2021", "url": "", "author": [ "M Orlando","Patrick Buchholz","M Lotti","Jürgen Pleiss" ], "authors": [ {"first" : "M", "last" : "Orlando"}, {"first" : "Patrick", "last" : "Buchholz"}, {"first" : "M", "last" : "Lotti"}, {"first" : "Jürgen", "last" : "Pleiss"} ], "volume": "16","pages": "e0256817", "itb_ag" : "pleiss", "staffids" : "3019, 2660", "project" : "next1", "orcid" : "0000-0001-5967-3777, 0000-0003-1045-8202", "doi" : "https://doi.org/10.1371/journal.pone.0256817", "bibtexKey": "Orlando2021" } ] }