Erscheinungsjahr
Medientyp
Format
Lizenz
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Communication: Improved ab initio molecular dynamics by minimally biasing with experimental data
Online Contents | 2017| -
APPARATUS AND METHOD FOR APPLYING A LOAD TO A MATERIAL
Freier ZugriffEuropäisches Patentamt | 2019| -
Apparatus and method for applying a load to a material
Freier ZugriffEuropäisches Patentamt | 2016| -
Apparatus and method for applying a load to a material
Freier ZugriffEuropäisches Patentamt | 2016| -
Investigating Active Learning and Meta-Learning for Iterative Peptide Design
Freier ZugriffAmerican Chemical Society | 2021| -
Designing Free Energy Surfaces That Match Experimental Data with Metadynamics
Online Contents | 2015| -
Efficient and Minimal Method to Bias Molecular Simulations with Experimental Data
Online Contents | 2014| -
Recent Advances in Maximum Entropy Biasing Techniques for Molecular Dynamics
Freier ZugriffArXiv | 2019| -
Role of Nonspecific Interactions in Molecular Chaperones through Model-Based Bioinformatics
Online Contents | 2013| -
Efficient and Minimal Method to Bias Molecular Simulations with Experimental Data
American Chemical Society | 2014| -
Role of Nonspecific Interactions in Molecular Chaperones through Model-Based Bioinformatics
Online Contents | 2012| -
Serverless Prediction of Peptide Properties with Recurrent Neural Networks
Freier ZugriffAmerican Chemical Society | 2023| -
Hydration of Zwitterionic Glycine Betaine and Analogues Through Molecular Simulation
Online Contents | 2011| -
Learning peptide properties with positive examples only
Freier ZugriffRoyal Society of Chemistry | 2024| -
Predicting chemical shifts with graph neural networks
Freier ZugriffRoyal Society of Chemistry | 2021| -
Encoding and Selecting Coarse-Grain Mapping Operators with Hierarchical Graphs
Freier ZugriffArXiv | 2018| -
Investigating Active Learning and Meta-Learning for Iterative Peptide Design
Freier ZugriffArXiv | 2019| -
Encoding and selecting coarse-grain mapping operators with hierarchical graphs
American Institute of Physics | 2018| -
Natural language processing models that automate programming will transform chemistry research and teaching
Freier ZugriffRoyal Society of Chemistry | 2022| -
City-wide modeling of Vehicle-to-Grid Economics to Understand Effects of Battery Performance
Freier ZugriffArXiv | 2021| -
City-Wide Modeling of Vehicle-to-Grid Economics to Understand Effects of Battery Performance
American Chemical Society | 2021| -
Classifying Antimicrobial and Multifunctional Peptides with Bayesian Network Models
Freier ZugriffArXiv | 2018| -
Correction: Predicting small molecules solubility on endpoint devices using deep ensemble neural networks
Freier ZugriffRoyal Society of Chemistry | 2024| -
Predicting small molecules solubilities on endpoint devices using deep ensemble neural networks
Freier ZugriffArXiv | 2023| -
Difference of Carboxybetaine and Oligo(ethylene glycol) Moieties in Altering Hydrophobic Interactions: A Molecular Simulation Study
American Chemical Society | 2014| -
Predicting small molecules solubility on endpoint devices using deep ensemble neural networks
Freier ZugriffRoyal Society of Chemistry | 2024| -
Natural Language Processing Models That Automate Programming Will Transform Chemistry Research and Teaching
Freier ZugriffArXiv | 2021| -
Model agnostic generation of counterfactual explanations for molecules
Freier ZugriffRoyal Society of Chemistry | 2022| -
Combining Enhanced Sampling with Experiment Directed Simulation of the GYG peptide
Freier ZugriffArXiv | 2018| -
Analysis of International Competition and Training in Men's Field Hockey by Global Positioning System and Inertial Sensor Technology
British Library Online Contents | 2015| -
Experimentally Consistent Simulation of Aβ21–30 Peptides with a Minimal NMR Bias
Freier ZugriffAmerican Chemical Society | 2020| -
Designing Free Energy Surfaces That Match Experimental Data with Metadynamics
American Chemical Society | 2015| -
A Direct Method for Incorporating Experimental Data into Multiscale Coarse-Grained Models
American Chemical Society | 2016|
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