cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/9m2sgtsgw7
title: Accomodating Statistical and Physics-based Computational Protocals for Molecular Glue Design and Evaluation

description: Molecular glues (MGs) offer a promising strategy for modulating protein-protein interactions (PPIs) by inducing novel intermolecular contacts or stabilizing existing ones. However, the rational design of MGs is hampered by the challenge of predicting the structural arrangement of the ternary complex (MG-protein1-protein2). Here, we present a computational methodology for constructing ternary complexes of MGs, circumventing the need for experimentally determined structures. Recognizing the diverse mechanisms of MG action, we employ two distinct computational approaches tailored to specific MG systems. We validate our methodology through case studies of known MGs, demonstrating its ability to capture the fundamental principles governing MG activity. Our findings highlight the potential of integrating statistical and physics-based methods for the discovery and development of novel MGs.
DOI: 10.3535/68h-c4k-gry
title: Cerite

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/g3w-pnq-z32
title: Gastropoda Cuvier, 1795

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.17632/mh8ypvf7b5
title: Athene 1A: A one-dimensional fusion code

description: Title of program: ATHENE 1A Catalogue Id: ABUT_v2_0 [ABQI] Nature of problem The purpose of ATHENE 1A is to calculate the evolution of a high-beta toroidal CTR plasma in the cylindrical approximation, taking into account diffusion and other entropy-generating processes in a plasma which evolves through a sequence of magnetohydrodynamic pressure equilibria. The ATHENE 1A model is an extension of the previously published code ATHENE 1. Versions of this program held in the CPC repository in Mendeley Data ABUT_v1_0; ATHENE 1; 10.1016/0010-4655(78)90006-1 ABUT_v2_0; ATHENE 1A; 10.1016/0010-4655(81)90130-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.3535/02s-e3h-j0t
title: †Atrypa Dalman, 1828

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/zrg-ght-whm
title: †Eochonetes Reed, 1917

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/3w4-5e7-55a
title: Streptelasma calicula Hall, 1852

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/hq1-wyw-psc
title: Beryl

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/pry-sbb-84q
title: †Eochonetes Reed, 1917

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/r94-gzf-8h7
title: Streptelasma calicula Hall, 1852

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/002-d6z-5m1
title: sedimentary rocks

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/2md-8h1-n0t
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/3qa-c3b-5rf
title: Animalia

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/6an-edr-3tf
title: †Eochonetes Reed, 1917

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.6084/m9.figshare.28502012.v1
title: PICRUSt2 MetaCyc and KO abundance datasets.xlsx

description: The functional potential of the 16S rDNA sequencing reads was predicted using PICRUSt2, leveraging the MetaCyc and KEGG databases.
DOI: 10.17632/bdc6dy9ptw
title: Susycal - Symbolic computations in supersymmetric theories

description: Abstract The calculation of supergraphs within the superfield-formalism entails complex expressions and numerous divergent integrals. This is even more so for non-covariant supergauges. SUSYCAL is a package of PASCAL procedures which is able to manipulate formulae and perform these calculations. The algebra of the non-covariant operators of the FD-gauge and the covariant derivatives is included in SUSYCAL as a fixed set of rules. This first version of SUSYCAL to be presented comprises also the (symbol... Title of program: SUSYCAL Catalogue Id: ABLW_v1_0 Nature of problem Non-covariant gauges within the superfield formalism have several advantages over the covariant formulation. One of the most famous examples is the Wess-Zumino gauge where the dimensionless field is eliminated by the equations of motion. The algebra of covariant derivates is extended through the introduction of explicit Grassmann variables. This leads in most cases to much more complicated propagators. Using the Feynman rules to evaluate even simple graphs the integrations in superspace becomes ... Versions of this program held in the CPC repository in Mendeley Data ABLW_v1_0; SUSYCAL; 10.1016/0010-4655(90)90138-Q This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.3535/1zr-lx3-qy7
title: †Leptaena Dalman, 1828

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/f7m-2rw-n54
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/h9v-wdm-4s8
title: Gabbro

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/ra4-455-3w0
title: †Eochonetes Reed, 1917

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/7kl-gcw-91r
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/b2h-0hx-pvm
title: Stibnite

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.6084/m9.figshare.3530366.v1
title: Appendix A. Figures showing construction of a rank clock in which the rank order abundance for each species in a community sample is plotted at each time interval in temporal clockwise direction, rank clock display of a 20-yr data set with 25 species in which no species turnover (gains or losses) or changes in rank abundance occur over time, and a conceptual diagram illustrating two species dynamics in linear and rank clock format.

description: Figures showing construction of a rank clock in which the rank order abundance for each species in a community sample is plotted at each time interval in temporal clockwise direction, rank clock display of a 20-yr data set with 25 species in which no species turnover (gains or losses) or changes in rank abundance occur over time, and a conceptual diagram illustrating two species dynamics in linear and rank clock format.
DOI: 10.3535/96g-kw1-xz3
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/bz5-942-jrh
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/v72-hsa-44l
title: †Craniops Hall, 1859

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/xh1-cv2-vd0
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/320-rnz-ake
title: Gastropoda Cuvier, 1795

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/c9g-j9s-56w
title: Megalomus

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/cs8-dj0-yn5
title: Actinolite

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/kd6-yae-35x
title: Diopside

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/ckc-e6q-jb0
title: Pyrite

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.17632/478tdpt8vs
title: Human bone extract MS raw files Part 2

description: Mass spectrometry Xcalibur Raw Files from diabetic human male bone extracts digested with AspN protease.
DOI: 10.3535/6ff-sbd-l5p
title: Cingulochitina baltica

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/lrk-2f2-5n8
title: Sphaerochitina cf. indecora

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/tqv-xc5-ztf
title: Gabbro

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/63c-pyg-gjf
title: Sandstone

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/7qb-0lz-svt
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.17632/5sxvpcbtwh
title: SEXIE — a microcomputer program for the calculation of coordination shells and geometrics

description: Abstract We present an easy to use FORTRAN microcomputer program designed to specifically satisfy the needs of the X-ray absorption spectroscopist by providing the shell-by-shell atomic arrangement around a central atom in a form suitable for EXAFS data interpretation. It is easily portable and can be used on PC and Digital Equipment VAX. Title of program: SEXIE Catalogue Id: ACBV_v1_0 Nature of problem Calculation of coordination shells and geometries around a central atom in a crystal structure and presentation in a form suitable for EXAFS data interpretation. Versions of this program held in the CPC repository in Mendeley Data ACBV_v1_0; SEXIE; 10.1016/0010-4655(92)90059-8 ACBV_v2_0; SEXIE 3.0; 10.1016/0010-4655(94)90128-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.3535/qwz-p5q-8fp
title: Sphalerite

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/k51-jdz-l5y
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/p3l-av1-gvh
title: Tabulata

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/0ld-z1h-gsj
title: Tinguaite

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/lq8-3av-exm
title: †Leptaena Dalman, 1828

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.3535/lyt-ybe-4ae
title: †Diplotrypa petropolitana Nicholson, 1879

description: Digital Specimen for the physical specimen hosted at Tallinn University of Technology.
DOI: 10.6084/m9.figshare.13102868.v3
title: Data_EmpiricalLivingStructure.zip

description: This dataset includes the data used for the figures in the article "Living structure as an empirical measurement for city morphology" <br>Included are tutorials of how the data is generated and how you are able to generate it for other cities as well.
DOI: 10.17632/wh4pt8pbyp
title: Data for igneous intrued coal

description: Igneous intrusions can bring hydrothermal fluids, metals, and ligands to the surrounding host sequences, changing their physical, textural and chemical features to some extent depending on the degree of thermal exposure. However, regarding hydrothermally-altered coals, previous studies had focused on the coal quality and element variation affected by igneous intrusion but evidence of hydrothermal alteration is absent. The Pennsylvanian coal in in the Daqingshan Coalfield, Inner Mongolia, China, was thermally affected by a granitic intrusion near the east of coalfield during the Yanshanian Orogeny between the Late Jurassic and Early Cretaceous. With decreasing distance eastwards from the intrusion, there is an increase in vitrinite reflectance values (from 0.84% to 1.58%); a decrease in the coal H/C (from 0.072 to 0.052) value and the content of volatiles (from 44.64% to 21.65%) in comparison with the unaltered coal. The present study revealed that the organic carbon δ 13C values of the Daqingshan coal samples range from -24.8‰ to -22.8‰. The westmost Hailiushu coals have the least negative δ 13Corg values (from -24.8‰ to -23.5‰; -24.3‰ on average), while those of the Datanhao coals (from -24.8‰ to -23.5‰; -24.2‰ on average) and Adaohai coals which have the most positive δ 13Corg (from -23.8‰ to -22.8‰; -23.3‰ on average), are all slightly more positive than the Hailiushu coals. Excluding such factors such as the paleogeography and paleoenvironment, it is not just the maceral content that causes the difference in organic carbon isotopes, but the loss of 12C-rich volatiles due to the thermal effects from the igneous intrusion. This hypothesis was further supported by Rock-Eval analysis on the organic matter: the trend of Rock-Eval Pyrolysis for the Hailiushu, Datanhao, and Adaohai coals follows the trend of increasing distance from the granitic intrusion (e.g., average Tmax value of Hailiushu, Datanhao, and Adaohai coals is 435.25℃, 460.40℃, and 489.20℃ respectively). Moreover, minerals of hydrothermal origin, i.e., ammonium illite and aluminum bearing minerals (boehmite and diaspore) were detected only in the Datanhao and Adaohai coals. The fracture/cleat-filling carbonates are more abundant in the Adaohai coals than in the Datanhao and Hailiushu coals. The presence of these epigenetic minerals which were generally reported from high rank coals further supports the effect of high-temperature hydrothermal fluids. The δ 13CPDB (from -14.2‰ to 1.7‰) and δ 18OPDB (from -16.9‰ to -7‰) of these vein carbonates all indicate a hydrothermal origin. High 87Sr/86Sr ratios (0.711392 - 0.717643) of hydrothermal fluids brought by enriched-87Sr granite flowing through the coals not only altered the mineral components but also was responsible for the 87Sr/86Sr in carbonates. This study has a potential wide significance of revealing maturity and chemical compositions of organic matter in sediments without limitation to coal.
DOI: 10.15156/bio/sh1098774.10fu
title: SH1098774.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1098775.10fu
title: SH1098775.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1098778.10fu
title: SH1098778.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1098780.10fu
title: SH1098780.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1098781.10fu
title: SH1098781.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1098782.10fu
title: SH1098782.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1098784.10fu
title: SH1098784.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1098785.10fu
title: SH1098785.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.