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Synonyms were used for: molecular mechanics
Search without synonyms: keywords:("molecular mechanics")
Used synonyms:
- molekulare mechanik
- molekularmechanik
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Molecular mechanism for the control of virulent Toxoplasma gondii infections in wild-derived mice
Free accessBASE | 2019|Keywords: Molekularmechanik -
Mechanics of filled rubbers from a molecular point of view
TIBKAT | 2017|Keywords: Molekularmechanik -
Molekularstatische Methoden zur Simulation ferroelektrischer Bariumtitanat-Einkristalle
TIBKAT | 2017|Keywords: Molekularmechanik -
Application of the molecular mechanics method to simulation of buckling of single-walled carbon nanotubes
Tema Archive | 2014|Keywords: Molekularmechanik -
How Photoisomerization Drives Peptide Folding and Unfolding: Insights from QM/MM and MM Dynamics Simulations
Wiley | 2016|Keywords: Quantenmechanik/Molekularmechanik -
Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set
Tema Archive | 2014|Keywords: Molekularmechanik -
The adaptive buffered force QM/MM method in the CP2K and AMBER software packages
Wiley | 2015|Keywords: adaptive quantum‐mechanics/molecular‐mechanics, quantum‐mechanics/molecular‐mechanics -
Multiscale simulation of phase transformation in metals
Free accessTIBKAT | 2019|Keywords: Molekularmechanik -
A potential with low point charges for pure siliceous zeolites
Wiley | 2015|Keywords: molecular mechanics, quantum mechanics/molecular mechanics -
Degradation mechanism for Zearalenone ring-cleavage by Zearalenone hydrolase RmZHD: A QM/MM study
Elsevier | 2019|Keywords: Quantum mechanics/molecular mechanics -
Influence of Ligand Architecture on Oxidation Reactions by High-Valent Nonheme Manganese Oxo Complexes Using Water as a Source of Oxygen
Tema Archive | 2015|Keywords: Molekularmechanik -
Improving the Q2MM method for transition state force field modeling
Wiley | 2015|Keywords: molecular mechanics, quantum‐to‐molecular mechanics -
Tendon glycosaminoglycan proteoglycan sidechains promote collagen fibril sliding—AFM observations at the nanoscale
Tema Archive | 2013|Keywords: Molekularmechanik -
Modeling the interactions between polyoxometalates and their environment
Wiley | 2011|Keywords: molecular mechanics -
Ultra-strong collagen-mimic carbon nanotube bundles
Tema Archive | 2014|Keywords: Molekularmechanik -
Density functional tight binding: values of semi-empirical methods in an ab initio era
Tema Archive | 2014|Keywords: Molekularmechanik -
A valence bond model for aqueous Cu(II) and Zn(II) ions in the AMOEBA polarizable force field
Wiley | 2013|Keywords: molecular mechanics -
Structure of polymer-acid complexes in solution and crystal-solvate phases of rigid-rod heterocyclic polymer - poly(p-phenylene benzobisoxasole)
Tema Archive | 2011|Keywords: Molekularmechanik -
Hydration Structure of Diamondoids from Reactive Force Fields
Free accessDataCite | 2023|Keywords: Molecular mechanics -
Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
Tema Archive | 2014|Keywords: Molekularmechanik -
Nonlocal mass nanosensors based on vibrating monolayer graphene sheets
Tema Archive | 2013|Keywords: Molekularmechanik -
A combined molecular dynamics and experimental study of doped polypyrrole
Elsevier | 2010|Keywords: Molecular mechanics -
Simple models for nonpolar solvation: Parameterization and testing
Wiley | 2017|Keywords: molecular mechanics -
Design of tetraphenyl silsesquioxane based covalent-organic frameworks as hydrogen storage materials
Tema Archive | 2014|Keywords: Molekularmechanik -
Broadband terahertz time-domain and Raman spectroscopy of explosives
Tema Archive | 2007|Keywords: Molekularmechanik -
Kinetic mechanism of Nicotiana tabacum myosin‐11 defines a new type of a processive motor
Wiley | 2015|Keywords: molecular mechanics -
On the Mechanical Modeling of Matter, Molecular and Continuum
Online Contents | 2018|Keywords: Molecular mechanics -
Nonlocal mass nanosensors based on vibrating monolayer graphene sheets
Elsevier | 2013|Keywords: Molecular mechanics -
Study on the relationship of chemical structure and order aggregation ability of polyimides: a molecular simulation approach
Tema Archive | 2008|Keywords: Molekularmechanik -
The MolSSI Driver Interface Project: A framework for standardized, on-the-fly interoperability between computational molecular sciences codes
Elsevier | 2020|Keywords: Molecular mechanics -
Thermodynamics for the Formation of Double‐Stranded DNA–Single‐Walled Carbon Nanotube Hybrids
Wiley | 2016|Keywords: molecular mechanics -
Double Yielding in Deformation of Semicrystalline Polymers
Wiley | 2020|Keywords: molecular mechanics -
Buckling of multi-walled silicon carbide nanotubes under axial compression via a molecular mechanics model
Tema Archive | 2015|Keywords: Molekularmechanik -
An online parameter and property database for the TraPPE force field
Taylor & Francis Verlag | 2014|Keywords: molecular mechanics -
Holes interaction of a graphene membrane under pressure for water desalination
Elsevier | 2023|Keywords: Molecular mechanics -
FEW: A workflow tool for free energy calculations of ligand binding
Wiley | 2013|Keywords: molecular mechanics Poisson–Boltzmann surface area, molecular mechanics generalized Born surface area -
Molecular simulations of cement based materials: A comparison between first principles and classical force field calculations
Elsevier | 2017|Keywords: Molecular mechanics -
Predicting mechanical properties of carbon nanosprings based on molecular mechanics simulation
Tema Archive | 2014|Keywords: Molekularmechanik -
Quantitative Comparison against Experiments Reveals Imperfections in Force Fields’ Descriptions of POPC–Cholesterol Interactions
Free accessDataCite | 2023|Keywords: Molecular mechanics -
A molecular mechanics implementation of the cyclic cluster model
Free accessDeGruyter | 2024|Keywords: molecular mechanics -
Mechanism of proteolysis in matrix metalloproteinase‐2 revealed by QM/MM modeling
Wiley | 2015|Keywords: quantum mechanics/molecular mechanics -
Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields
Wiley | 2015|Keywords: molecular mechanics -
Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds?
Wiley | 2013|Keywords: anisotropic molecular mechanics -
An assessment of finite element analysis to predict the elastic modulus and Poisson’s ratio of singlewall carbon nanotubes
Tema Archive | 2014|Keywords: Molekularmechanik
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