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Synonyme wurden verwendet für: Modellbildung
Suche ohne Synonyme: keywords:(Modellbildung)
Verwendete Synonyme:
- modeling
- modellierung
- modellierungsmethode
- modelling
- modellmethode
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Molecular Modeling as the Spark for Active Learning Approaches for Interdisciplinary Biology Teaching
Freier ZugriffChemRxiv | 2018|Schlagwörter: Molecular modelling -
Wrapping up Viruses at Multiscale Resolution: Optimizing PACKMOL and SIRAH Execution for Simulating the Zika Virus.
Freier ZugriffChemRxiv | 2020|Schlagwörter: Computational Chemistry and Modeling, Molecular modeling -
Homology Modeling and Docking Studies of TMPRSS2 with Experimentally Known Inhibitors Camostat Mesylate, Nafamostat and Bromhexine Hydrochloride to Control SARS-Coronavirus-2
Freier ZugriffChemRxiv | 2020|Schlagwörter: Molecular modeling, drug designing, Homology modeling -
Size-Dependent Interaction of Nanoparticles with Non-ionic Bilayers
Freier ZugriffChemRxiv | 2020|Schlagwörter: Computational Chemistry and Modeling, Simulation and modeling -
Modelling of framework materials at multiple scales: current practices and open questions
Freier ZugriffChemRxiv | 2019|Schlagwörter: modelling -
Structure-Based Virtual Screening of Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) as Endocrine Disruptors of Androgen Receptor Activity Using Molecular Docking and Machine Learning
Freier ZugriffChemRxiv | 2020|Schlagwörter: Modeling, Computational Chemistry and Modeling -
A Kinetic View on Proximity-dependent Selectivity of Carbon Dioxide Reduction on Bifunctional Catalysts
Freier ZugriffChemRxiv | 2020|Schlagwörter: Kinetic Modeling, Computational Chemistry and Modeling -
Proteochemometric Models Using Multiple Sequence Alignments and a Subword Segmented Masked Language Model
Freier ZugriffChemRxiv | 2021|Schlagwörter: Language Modelling, Proteochemometric modelling, QSAR Modeling -
Using a Coarse-Grained Modeling Framework to Identify Oligomeric Motifs with Tunable Secondary Structure
Freier ZugriffChemRxiv | 2021|Schlagwörter: coarse-grained modeling, Computational Chemistry and Modeling -
Universal Battery Performance and Degradation Model for Electric Aircraft
Freier ZugriffChemRxiv | 2020|Schlagwörter: battery modelling -
Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells
Freier ZugriffChemRxiv | 2021|Schlagwörter: Computational Chemistry and Modeling, Molecular Modeling -
pywindow: Automated Structural Analysis of Molecular Pores
Freier ZugriffChemRxiv | 2018|Schlagwörter: materials modelling -
A New Kinetic Model for Multicomponent Adsorption in Batch Systems
Freier ZugriffChemRxiv | 2018|Schlagwörter: Kinetic Modeling -
Kinetic Modeling of API Oxidation: 1. The AIBN/H2O/CH3OH Radical "Soup"
Freier ZugriffChemRxiv | 2021|Schlagwörter: Kinetic Modeling, Computational Chemistry and Modeling -
Improving Small Molecule Force Fields by Identifying and Characterizing Small Molecules with Inconsistent Parameters
Freier ZugriffChemRxiv | 2020|Schlagwörter: molecular modeling, Computational Chemistry and Modeling -
Inductive Transfer Learning for Molecular Activity Prediction: Next-Gen QSAR Models with MolPMoFiT
Freier ZugriffChemRxiv | 2019|Schlagwörter: QSAR modeling, Computational Chemistry and Modeling -
CPPE: An Open-Source C++ and Python Library for Polarizable Embedding
Freier ZugriffChemRxiv | 2019|Schlagwörter: multiscale modeling, Computational Chemistry and Modeling -
An Integrative in Silico Drug Repurposing Approach for Identification of Potential Inhibitors of SARS-CoV-2 Main Protease
Freier ZugriffChemRxiv | 2020|Schlagwörter: molecular modeling, PBPK modeling, Computational Chemistry and Modeling -
Strong Binding of Noble Gases to [B12X11]˗: A Theoretical Study
Freier ZugriffChemRxiv | 2021|Schlagwörter: Computational Chemistry and Modeling -
From Desktop to Benchtop – A Paradigm Shift in Asymmetric Synthesis
Freier ZugriffChemRxiv | 2019|Schlagwörter: Transition state modeling, Computational Chemistry and Modeling -
Rational Construction of Organic Electronic Devices Based on S-Indacene Fragments
Freier ZugriffChemRxiv | 2021|Schlagwörter: Molecular Modelling, Computational Chemistry and Modeling -
Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments
Freier ZugriffChemRxiv | 2019|Schlagwörter: multiscale modeling -
Fast and Automatic Estimation of Transition State Structures Using Tight Binding Quantum Chemical Calculations
Freier ZugriffChemRxiv | 2020|Schlagwörter: Computational Chemistry and Modeling -
Theoretical Insights into the Effect of Halogenated Substituent on the Electronic Structure and Spectroscopic Properties of the Favipiravir Tautomeric Forms and Its Implications on the Treatment of COVID-19
Freier ZugriffChemRxiv | 2020|Schlagwörter: In silico modeling, Computational Chemistry and Modeling -
On the Estimation of the Molecular Inaccessible Volume and the Molecular Accessible Surface of a Ligand in Protein Ligand Systems
Freier ZugriffChemRxiv | 2021|Schlagwörter: Modeling, Computational Chemistry and Modeling -
Use of AE and DST Indices to Form a Predictive Model of Geomagnetic Activity During the
NTRS | 1995|Schlagwörter: geomagnetic modelling -
Energy Threshold for Chiral Symmetry Breaking in Molecular Self-Replication
Freier ZugriffChemRxiv | 2019|Schlagwörter: kinetic modeling -
Computational Modeling Reveals the Mechanism of Fluorescent State Recovery in the Reversibly Photoswitchable Protein Dreiklang
Freier ZugriffChemRxiv | 2019|Schlagwörter: Molecular modeling studies, Computational Chemistry and Modeling -
STK: A Python Toolkit for Supramolecular Assembly
Freier ZugriffChemRxiv | 2018|Schlagwörter: materials Modelling -
Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in Aqueous Environment
Freier ZugriffChemRxiv | 2018|Schlagwörter: Multi-scale modelling -
Computational Chemoproteomics to Understand the Role of Selected Psychoactives in Treating Mental Health Indications
Freier ZugriffChemRxiv | 2018|Schlagwörter: shotgun drug discovery, CANDO, mental health, psychoactive, multiscale modelling, computational docking -
Robust, Efficient and Automated Methods for Accurate Prediction of Protein-Ligand Binding Affinities in AMBER Drug Discovery Boost
Freier ZugriffChemRxiv | 2021|Schlagwörter: Computational Chemistry and Modeling -
Cheminformatics Modeling of Closantel Analogues for Treating River Blindness
Freier ZugriffChemRxiv | 2020|Schlagwörter: cheminformatics modeling method, Computational Chemistry and Modeling, Molecular modeling -
cgbind: A Python Module and Web App for Automated Metallocage Construction and Host-Guest Characterization
Freier ZugriffChemRxiv | 2020|Schlagwörter: Computational modelling, Computational Chemistry and Modeling -
Structural and Functional Annotation of Uncharacterized Protein NCGM946K2_146 of Mycobacterium tuberculosis: An In-Silico Approach
Freier ZugriffChemRxiv | 2020|Schlagwörter: Homology Modeling, Computational Chemistry and Modeling -
Probing the Molecular Frame of Uracil and Thymine with High Harmonic Generation Spectroscopy
Freier ZugriffChemRxiv | 2020|Schlagwörter: Computational Chemistry and Modeling -
Detection of Cardiac Biomarker Troponin (cTnI) with Enhanced Immune Sensitivity using a Single Monoclonal Antibody
Freier ZugriffChemRxiv | 2020|Schlagwörter: Troponin cTni, Biosensor, Surface Plasmon Resonance, single epitope, modelling -
Computational design of ACE2-based short peptide inhibitors of SARS-CoV-2
Freier ZugriffChemRxiv | 2020|Schlagwörter: Computational Chemistry and Modeling -
PySurf - A Framework for Database Accelerated Direct Dynamics
Freier ZugriffChemRxiv | 2020|Schlagwörter: machine Learning Methods Enable Predictive Modeling, Computational Chemistry and Modeling -
Understanding Conformational Entropy in Small Molecules
Freier ZugriffChemRxiv | 2020|Schlagwörter: Thermodynamic Modeling, Computational Chemistry and Modeling -
Role of Exchange and Correlation in High-Harmonic Generation Spectra of H2, N2 and CO2: Real-Time Time-Dependent Electronic-Structure Approaches
Freier ZugriffChemRxiv | 2020|Schlagwörter: Computational Chemistry and Modeling -
Local Structuring of Diketopyrrolopyrrole (DPP)-Based Semiconducting Polymers Using Molecular Dynamics Simulations
Freier ZugriffChemRxiv | 2020|Schlagwörter: Computational Chemistry and Modeling -
GlycoTorch Vina: Improved Docking of Sulfated Sugars Using QM-derived Scoring Functions
Freier ZugriffChemRxiv | 2020|Schlagwörter: Computational Chemistry and Modeling -
An Alternative Kinetic Model of the Iodide-Iodate Reaction for Its Use in Micromixing Investigations
Freier ZugriffChemRxiv | 2020|Schlagwörter: modeling -
Homology Models of Coronavirus 2019-nCoV 3CLpro Protease
Freier ZugriffChemRxiv | 2020|Schlagwörter: homology modeling -
Intrinsic Stacking Interactions of Natural and Artificial Nucleobases
Freier ZugriffChemRxiv | 2019|Schlagwörter: Computational Chemistry and Modeling -
Ocean Modeling and Visualization on Massively Parallel Computer
NTRS | 1997|Schlagwörter: Ocean Modeling Climate Modeling -
A Revised Pseudo-Second Order Kinetic Model for Adsorption, Sensitive to Changes in Sorbate and Sorbent Concentrations
Freier ZugriffChemRxiv | 2020|Schlagwörter: kinetic modeling, modelling, kinetic modelling -
LigGPT: Molecular Generation using a Transformer-Decoder Model
Freier ZugriffChemRxiv | 2021|Schlagwörter: Generative Modeling, Computational Chemistry and Modeling -
A Physical Organic Approach to Tuning Reagents for Selective and Stable Methionine Bioconjugation
Freier ZugriffChemRxiv | 2019|Schlagwörter: modeling
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