Found 118 datasets matching "molecular modeling".
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Data files for "Eccles KM, Karmaus AL, Kleinstreuer NC, Parham F, Rider CV, Wambaugh JF, Messier KP. A geospatial modeling approach to quantifying the risk of exposure to environmental chemical...
Search relevance: 107.52 | Views last month: 0 -
Three dimensional structures provide a wealth of information on the biological function and the evolutionary history of macromolecules. They can be used to examine sequence-structure-function...
Search relevance: 97.35 | Views last month: 0 -
Datasets included in the entry are Results from the US Environmental Protection Agency Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool and from the molecular modeling...
Search relevance: 73.27 | Views last month: 2 -
This repository provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and judge their quality and...
Search relevance: 40.02 | Views last month: 1 -
This dataset consists of input and output data for sensitivity analysis of the model. This dataset is associated with the following publication: Breen, M., C. Seppanen, V. Isakov, S....
Search relevance: 35.67 | Views last month: 0 -
Dataset for Harrill, J.A. et al., 'Signature Analysis of High-Throughput Transcriptomics Screening Data for Mechanistic Inference and Chemical Grouping' published in Toxicological Sciences,...
Search relevance: 32.45 | Views last month: 0 -
Modeling data and analysis scripts generated during the current study are available in the github repository: https://github.com/USEPA/CompTox-MIEML. RefChemDB is available for download as...
Search relevance: 32.00 | Views last month: 0 -
As monoclonal antibodies have become a vital resource in medicine, knowledge of their complex molecular structures has increased in importance. Thousands of Fab and Fc fragments are described in...
Search relevance: 31.72 | Views last month: 8 -
Background: Trends in male reproductive health have been reported for increased rates of testicular germ cell tumors, low semen quality, cryptorchidism, and hypospadias, which have been associated...
Search relevance: 31.26 | Views last month: 3 -
QSAR Model Reporting Formats. Examples of R code: feature selection and regression analysis. Figure S1: Data distribution of logBCF, BP, MP and logVP. Figures S2–S5: Relationship between model...
Search relevance: 30.36 | Views last month: 2 -
Background: Chemical toxicity testing is being transformed by advances in biology and computer modeling, concerns over animal use and the thousands of environmental chemicals lacking toxicity...
Search relevance: 28.49 | Views last month: 6 -
Water quality measurements at 3 beach sites in the Great Lakes from the summer of 2015: Edgewater Beach, OH; Grant Park, WI; Washington Park, MI. Data include associated environmental parameters...
Search relevance: 28.17 | Views last month: 1 -
The Visible Infrared Imaging Radiometer Suite (VIIRS) (https://lpdaac.usgs.gov/dataset_discovery/viirs) daily surface reflectance Climate Modeling Grid (VNP09CMG) Version 1 product provides an...
Search relevance: 28.09 | Views last month: 0 -
Graph neural networks (GNN) have been shown to provide substantial performance improvements for atomistic material representation and modeling compared with descriptor-based machine learning...
Search relevance: 27.38 | Views last month: 0 -
The APERO project proposes a mechanistic approach to the biological carbon pump (export of surface biogenic carbon production and fate in the water column -200/2000m). APERO aims to reduce the gap...
Search relevance: 26.60 | Views last month: 0 -
The VJ109CMG_NRT is a Near Real Time (NRT) daily surface reflectance Climate Modeling Grid Version 2 product which provides an estimate of land surface reflectance from the NOAA-20 (previously...
Search relevance: 25.76 | Views last month: 0 -
TheVNP09CMG_NRT is a Near Real Time (NRT) daily surface reflectance Climate Modeling Grid Version 2 product which provides an estimate of land surface reflectance from the NASA/NOAA Suomi National...
Search relevance: 25.57 | Views last month: 0 -
The Visible Infrared Imaging Radiometer Suite (VIIRS) daily surface reflectance Climate Modeling Grid (VNP09CMG) Version 2 product provides an estimate of land surface reflectance from the...
Search relevance: 24.14 | Views last month: 0 -
The Visible Infrared Imaging Radiometer Suite (VIIRS) daily surface reflectance Climate Modeling Grid (VJ109CMG) Version 2 product provides an estimate of land surface reflectance from the NOAA-20...
Search relevance: 24.06 | Views last month: 0 -
Background Recent studies of viral entry proteins from influenza, measles, human immunodeficiency virus, type 1 (HIV-1), and Ebola virus have shown, first with molecular modeling, and...
Search relevance: 23.62 | Views last month: 0
