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Dataset results
418 results for “Dimerization”
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (A47V) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (A47V).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (G46S) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (G46S).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (F55L) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (F55L).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (F39L) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (F39L).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (D59Y) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (D59Y).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (E76G) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (E76G).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (R68S) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (R68S).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (T63P) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (T63P).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (L48S) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (L48S).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (K42I) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (K42I).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (I65T) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (I65T).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Molecular dynamics simulation data of regulatory ACT domain dimer mutation (I65S) of human phenylalanine hydroxylase (PAH)
<p>Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (I65S).</p> <p><strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand </p> <p><strong>bound.zip</strong>: simulation of dimer with bound Phe ligand</p> <p><strong>dimer.zip</strong>: simulation of dimer only</p> <p>Simulation setup files are also included in each folder.</p>
Inactive-enriched machine-learning models exploiting patent data improve structure-based virtual screening for PDL1 dimerizers
<p>The 12 VS scenarios considered in this study employing six training-test data partitions<strong> </strong>(A-F). All training sets employ the same set of 371 actives (WO2015160641A2), but differ on the considered set of inactives and hence are uniquely identified by the latter (either TrueInactives, DeepCoys, RandomDecoys or ActivesOnly). Likewise, all test sets employ the same 297 actives (WO201503820A1), none of them also included in the training set, but different sets of inactives (TrueInactives or DeepCoys). </p> <p> </p> <table align="center"> <caption>Table 1. Six virtual screening scenarios corresponding to six pairs of training-test data for each type of SFs (classification or regression)</caption> <thead> <tr> <th scope="col">Partition ID</th> <th scope="col">Training set</th> <th scope="col">Test set</th> <th scope="col">Type</th> </tr> </thead> <tbody> <tr> <td>A</td> <td>DeepCoys</td> <td>TrueInactives</td> <td>Classification</td> </tr> <tr> <td>B</td> <td>RandomDecoys</td> <td>TrueInactives</td> <td>Classification</td> </tr> <tr> <td>C</td> <td>ActivesOnly</td> <td>TrueInactives</td> <td>Classification</td> </tr> <tr> <td>D</td> <td>TrueInactives</td> <td>DeepCoys</td> <td>Classification</td> </tr> <tr> <td>E</td> <td>RandomDecoys</td> <td>DeepCoys</td> <td>Classification</td> </tr> <tr> <td>F</td> <td>ActivesOnly</td> <td>DeepCoys</td> <td>Classification</td> </tr> <tr> <td>A</td> <td>DeepCoys</td> <td>TrueInactives</td> <td>Regression</td> </tr> <tr> <td>B</td> <td>RandomDecoys</td> <td>TrueInactives</td> <td>Regression</td> </tr> <tr> <td>C</td> <td>ActivesOnly</td> <td>TrueInactives</td> <td>Regression</td> </tr> <tr> <td>D</td> <td>TrueInactives</td> <td>DeepCoys</td> <td>Regression</td> </tr> <tr> <td>E</td> <td>RandomDecoys</td> <td>DeepCoys</td> <td>Regression</td> </tr> <tr> <td>F</td> <td>ActivesOnly</td> <td>DeepCoys</td> <td>Regression</td> </tr> </tbody> </table> <p> </p>
Videos of C70 dimerization
<p>Supplementary videos of C70 dimerization using JEM-ARM200F. Captions for supplementary videos can be found in the supporting information of the original paper.</p>
Glucose dissociates DDX21 dimers to regulate mRNA processing and promote epidermal differentiation (CUT&RUN)
GEO Series GSE215313. Homo sapiens. 34 samples. Type: Genome binding/occupancy profiling by high throughput sequencing.
Glucose dissociates DDX21 dimers to regulate mRNA processing and promote epidermal differentiation
GEO Series GSE189914. Homo sapiens. 138 samples. Type: Expression profiling by high throughput sequencing; Genome binding/occupancy profiling by high throughput sequencing; Other.
Phosphatidylinositol 4,5-bisphosphate (PIP2) facilitates norepinephrine transporter dimerization and modulates substrate efflux
<p>Source data supporting the findings of the study.</p>
Supporting input files for "GB1 Dimerization in Crowders: A Multiple Resolution Approach"
<p>All necessary input files to run coarse-grained Martini and Readdy simulations are provided.</p>
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.