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Synonyms were used for: molecular dynamics
Search without synonyms: keywords:("molecular dynamics")
Used synonyms:
- md simulation
- molekularbewegung
- molekulardynamik
- molekulardynamikmethode
- molekulardynamische berechnung
- molekulardynamische computersimulation
- molekulardynamische simulation
- molekulare dynamik
- molekulbewegung
- molekuldynamik
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NPT Ensemble MD Simulation Investigation on the Mechanical Properties of HMX/F2311 Polymer‐bonded Explosive
Wiley | 2008|Keywords: molecular dynamics -
Role of solvation structure in the shuttling of the hydrated excess proton
Online Contents | 2017|Keywords: reactive molecular dynamics -
Synthesis and solid-state NMR study of chromium complexes of per(3,6-anhydro)-α-cyclodextrin based polymers
Elsevier | 2007|Keywords: Molecular dynamics -
Biomolecular Simulation: A Perspective from High Performance Computing
Wiley | 2020|Keywords: Molecular Dynamics -
Molecular dynamics based antimicrobial activity descriptors for synthetic cationic peptides
Online Contents | 2019|Keywords: molecular dynamics -
Three-dimensional structures, dynamics and calcium-mediated interactions of the exopolysaccharide, Infernan, produced by the deep-sea hydrothermal bacterium Alteromonas infernus
Elsevier | 2021|Keywords: Molecular dynamics -
Role of solvation structure in the shuttling of the hydrated excess proton
Online Contents | 2017|Keywords: reactive molecular dynamics -
Molecular dynamics simulation of the diffusion of nanoconfined fluids
Online Contents | 2014|Keywords: Molecular dynamics simulation -
DETERMINAÇÃO DOS PARÂMETROS CINÉTICOS E SIMULAÇÃO COMPUTACIONAL DO PERFLUOROPOLIÉTER (PFPE) EMPREGADO COMO LUBRIFICANTE SINTÉTICO
Free accessDOAJ|Keywords: computational simulation, molecular dynamics -
Molecular dynamics simulations and analysis for bioinformatics undergraduate students
Wiley | 2021|Keywords: molecular dynamics -
Elucidation of temperature-induced water structuring on cellulose surfaces for environmental and energy sustainability
Elsevier | 2024|Keywords: Molecular dynamics -
Design strategy for blends of biodegradable polyester and thermoplastic starch based on a molecular dynamics study of the phase-separated interface
Elsevier | 2024|Keywords: Molecular dynamics (MD) simulations -
Network pharmacology and molecular docking combined to investigate the mechanism of duck‐derived active peptides in preventing hypertension
Wiley | 2023|Keywords: molecular dynamics simulations -
In-silico investigation of phenolic compounds from leaves of Phillyrea angustifolia L. as a potential inhibitor against the SARS-CoV-2 main protease (Mpro PDB ID:5R83) using a virtual screening method
Free accessDOAJ | 2022|Keywords: Molecular dynamics simulation -
Three-dimensional Morphology and X-ray Scattering Structure of Aqueous tert-Butanol Mixtures: A Molecular Dynamics Study
Springer Verlag | 2017|Keywords: molecular dynamics. -
Analysis and simulation of molecular dynamics of lysozyme in water cluster system
Online Contents | 2012|Keywords: molecular dynamics -
An in silico approach to design peptide mimetics based on docking and molecular dynamics simulation of EGFR–matuzumab complex
Online Contents | 2016|Keywords: Molecular dynamics -
Exploration of the binding properties of the human serum albumin sites with neurology drugs by docking and molecular dynamics simulation
Springer Verlag | 2016|Keywords: MD simulation -
Molecular dynamics simulations of a cyclic-DP-240 amylose fragment in a periodic cell: Glass transition temperature and water diffusion
Elsevier | 2009|Keywords: Molecular dynamics -
A series of molecular dynamics and homology modeling computer labs for an undergraduate molecular modeling course
Wiley | 2010|Keywords: Molecular dynamics -
Effect of pigeon pea seed (isoflavone) molecules on corrosion inhibition of mild steel in oilfield descaling solution: electro-kinetic, DFT modeling and optimization studies
Springer Verlag | 2021|Keywords: MD simulation -
Molecular Dynamics Simulation of Diffusion of Vitamin C in Water Solution
Wiley | 2012|Keywords: molecular dynamics simulation -
Meaning of xylan acetylation on xylan-cellulose interactions: A quartz crystal microbalance with dissipation (QCM-D) and molecular dynamic study
Elsevier | 2019|Keywords: Molecular dynamics -
A molecular dynamics calculation of solid phase of malonic acid: role of hydrogen-bond chains and the elastic constants
Springer Verlag | 2017|Keywords: molecular dynamics -
Modeling the structure of SARS 3a transmembrane protein using a minimum unfavorable contact approach
Online Contents | 2015|Keywords: molecular dynamics -
Acylation of cellulose in a novel solvent system: Solution of dibenzyldimethylammonium fluoride in DMSO
Elsevier | 2013|Keywords: Molecular dynamics -
Studies on synthesis and molecular dynamics simulation of dendrimers containing amino acids and peptides
Online Contents | 2007|Keywords: molecular dynamics -
Investigation of the Adsorption and Self Assembly of Isocyanide Derivatives on Au(111) Surface
Wiley | 2007|Keywords: molecular dynamics simulation -
Characterization of caffeic acid-induced changes in the structure and stability of lysozyme: insights from spectroscopy and molecular dynamics simulations
Springer Verlag | 2024|Keywords: MD simulation -
Modeling the structure of SARS 3a transmembrane protein using a minimum unfavorable contact approach
Online Contents | 2015|Keywords: molecular dynamics -
Novel Dual‐Site‐Binding Neuraminidase Inhibitor from Virtual Screening by Pharmacophore and Molecular Dynamics Methods
Wiley | 2012|Keywords: molecular dynamics simulations -
Molecular Dynamics Simulation of the Binding Interaction between Hormone Glucagon Protein and Self‐Assembled Monolayer Molecules
Wiley | 2007|Keywords: molecular dynamics simulations -
Improving Efficiency of Red Thermally Activated Delayed Fluorescence Emitter by Introducing Quasi‐Degenerate Orbital Distribution
Wiley | 2022|Keywords: Molecular dynamics -
Cellulose-hemicellulose interactions - A nanoscale view
Elsevier | 2021|Keywords: Molecular dynamics simulations -
Molecular dynamics characterization of the conformational landscape of small peptides: A series of hands‐on collaborative practical sessions for undergraduate students
Online Contents | 2016|Keywords: molecular dynamics -
Simulating chemical systems: MPI and GPU parallelization of novel SD algorithms
Springer Verlag | 2013|Keywords: Molecular dynamics -
Molecular dynamics simulation of the sliding of distamycin anticancer drug along DNA: interactions and sequence selectivity
Online Contents | 2017|Keywords: Molecular dynamics simulation -
Molecular dynamics simulations and free energy profile of Paracetamol in DPPC and DMPC lipid bilayers
Springer Verlag | 2014|Keywords: molecular dynamics simulation -
Experimental and Computer Study of Molecular Dynamics of a New Pyridazine Derivative
Springer Verlag | 2023|Keywords: molecular dynamics -
Synthesis and antimicrobial bioassays of 1,3,4-thiadiazole sulfone derivatives containing amide moiety: A study based on molecular dynamics (MD) simulations, MM/GBSA, and molecular docking
Free accessDOAJ | 2022|Keywords: Molecular dynamics simulation -
Linking Mind to Molecular Pathways: The Role of Experiment Tools
Online Contents | 2019|Keywords: Mind-to-molecular-dynamics linkages -
Sulfur‐Aromatic Interactions: Modeling Cysteine and Methionine Binding to Tyrosinate and Histidinium Ions to Assess Their Influence on Protein Electron Transfer
Wiley | 2016|Keywords: molecular dynamics -
In silico prediction of inhibitory potential of a punicalagin β-anomer against SARS-COV-2 main protease (MPRO)
Free accessDOAJ | 2023|Keywords: molecular dynamics -
Calculation of Kinetic Coefficients for Real Gases on Example of Nitrogen
Springer Verlag | 2017|Keywords: Molecular dynamics -
Conformational changes of peptidoglycan fragments during their interactions with vancomycin
Online Contents | 2011|Keywords: Molecular dynamics of sugar -
Enzymatic synthesis of 1,3-oleic-2-medium chain triacylglycerols and strategy of controlling acyl migration: insights from experiment and molecular dynamics simulation
Free accessTaylor & Francis Verlag | 2020|Keywords: molecular dynamics simulation -
Review of recent studies on interactions between polymers and nanotubes using molecular dynamic simulation
Springer Verlag | 2016|Keywords: Molecular dynamic (MD) simulation -
Estudo da estrutura e da solvatação do HNP-3, um antibiótico natural, por dinâmica molecular Study of the structure and solvation of the HNP-3, a natural antibiotic, by molecular dynamics
Free accessDOAJ | 2004|Keywords: molecular dynamics -
Characterizing moisture uptake and plasticization effects of water on amorphous amylose starch models using molecular dynamics methods
Elsevier | 2020|Keywords: Molecular dynamics
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