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Synonyms were used for: molecular mechanics
Search without synonyms: keywords:("molecular mechanics")
Used synonyms:
- molekulare mechanik
- molekularmechanik
-
An online parameter and property database for the TraPPE force field
Taylor & Francis Verlag | 2014|Keywords: molecular mechanics -
Comparing atomistic molecular mechanics force fields for a difficult target: a case study on the Alzheimer’s amyloid β-peptide
Taylor & Francis Verlag | 2014|Keywords: molecular mechanics -
Molecular mechanical properties of short-sequence peptide enzyme mimics
Taylor & Francis Verlag | 2016|Keywords: molecular mechanics -
The Theoretical Study of Mechanical Properties of Graphene Membranes
Taylor & Francis Verlag | 2010|Keywords: Molecular mechanics -
Benchmarking of copper(II) LFMM parameters for studying amyloid-β peptides
Free accessTaylor & Francis Verlag | 2018|Keywords: ligand field molecular mechanics -
Molecular insights into the irreversible mechanical behavior of sickle hemoglobin
Taylor & Francis Verlag | 2019|Keywords: molecular mechanics -
Overview of simulation studies on the enzymatic activity and conformational dynamics of the GTPase Ras
Taylor & Francis Verlag | 2014|Keywords: molecular mechanics -
Assessing the effect of a series of mutations on the dynamic behavior of phosphite dehydrogenase using molecular docking, molecular dynamics and quantum mechanics/molecular mechanics simulations
Taylor & Francis Verlag | 2023|Keywords: quantum mechanics/molecular mechanics -
Binding of a neutral guest to cucurbiturils: photophysics, thermodynamics and molecular modelling
Taylor & Francis Verlag | 2014|Keywords: molecular mechanics -
Force field comparisons of the heat capacity of carbon nanotubes
Taylor & Francis Verlag | 2006|Keywords: Molecular mechanics -
3α,7α,12α-Triacetoxy-5β-cholanic acid, a steroid from the Formosan soft coral Alcyonium sp. (Alcyoniidae)
Taylor & Francis Verlag | 2006|Keywords: Molecular mechanics calculations -
Conformational Preferences of Bispicolyl-p-tert-butylcalix[4]arene Anions: Synthesis of Cone and Partial-cone Conformers of Bispicolyl-bis-(tert-butoxycarbonyl)methoxy-p-tert-butylcalix[4]arene
Taylor & Francis Verlag | 2007|Keywords: Molecular mechanics -
Methods and Applications of Molecular Simulation in Catalyst Research
Taylor & Francis Verlag | 2006|Keywords: molecular mechanics -
On the influence of dimerisation of lumiflavin in aqueous solution on its optical spectra – a quantum chemical study
Taylor & Francis Verlag | 2019|Keywords: quantum mechanics/molecular mechanics -
Mobility of linear molecules inside and around β-cyclodextrin
Taylor & Francis Verlag | 2009|Keywords: molecular mechanics -
Investigating specificity of the anti-hypertensive inhibitor WNK463 against With-No-Lysine kinase family isoforms via multiscale simulations
Taylor & Francis Verlag | 2020|Keywords: molecular mechanics Poisson-Boltzmann surface area (MMPBSA) -
AMBER force field parameters for the Zn (II) ions of the tunneling-fold enzymes GTP cyclohydrolase I and 6‐pyruvoyl tetrahydropterin synthase
Taylor & Francis Verlag | 2021|Keywords: molecular mechanics -
Integration of QSAR modelling and QM/MM analysis to investigate functional food peptides with antihypertensive activity
Taylor & Francis Verlag | 2013|Keywords: quantum mechanics/molecular mechanics -
Insights into the specific binding site of adenosine to the Stx2, the protein toxin from Escherichia coli O157:H7 using molecular dynamics simulations and free energy calculations
Taylor & Francis Verlag | 2013|Keywords: molecular mechanics/Poisson–Boltzmann surface area -
The Effect of the Initial Guess Generator on Molecular Mechanics Calculations
Taylor & Francis Verlag | 2003|Keywords: Molecular Mechanics -
The effects of vitronectin on specific interactions between urokinase-type plasminogen activator and its receptor: ab initio molecular orbital calculations
Taylor & Francis Verlag | 2013|Keywords: molecular mechanics -
Capacity of small molecules to form β-cyclodextrin inclusion complexes
Taylor & Francis Verlag | 2010|Keywords: molecular mechanics -
A unit-cell-based three-dimensional molecular mechanics analysis for buckling load, effective elasticity and Poisson's ratio determination of the nanosheets
Taylor & Francis Verlag | 2016|Keywords: molecular mechanics -
Molecular Mechanics Studies of Molybdenum Disulphide Catalysts Parameterisation of Molybdenum and Sulphur
National licenceTaylor & Francis Verlag | 1992|Keywords: Molecular mechanics -
Conformational Change of an Azamacrocycle Containing Nitrophenol Side Arms by Proton Coordination. Crystal Structures, Heat of reaction and Molecular Mechanics Calculations
National licenceTaylor & Francis Verlag | 1999|Keywords: molecular mechanics -
Structure-Property Relationships in Liquid Crystals: Can Modelling do Better than Empiricism?
National licenceTaylor & Francis Verlag | 1989|Keywords: molecular mechanics -
Experimental and Computational Study of Complexes Between Quats and Naphthalenophanes
Taylor & Francis Verlag | 2001|Keywords: Molecular mechanics -
Natural Lignans as Adhesives for Cellulose: Computational Interaction Energy vs Experimental Results
Taylor & Francis Verlag | 2010|Keywords: MOLECULAR MECHANICS -
Energy-optimised pharmacophore approach to identify potential hotspots during inhibition of Class II HDAC isoforms
Taylor & Francis Verlag | 2015|Keywords: molecular mechanics-generalised born surface area -
PHOSPHATE SHIELDING UNDER DIFFERENT CONDITIONS RESULTS IN AN ENHANCED DNA DUPLEX STABILITY
Taylor & Francis Verlag | 2005|Keywords: Molecular Mechanics -
Simulation with quantum mechanics/molecular mechanics for drug discovery
Taylor & Francis Verlag | 2015|Keywords: quantum mechanics/molecular mechanics -
Reduction of a δ4-Steroid with Diborane
National licenceTaylor & Francis Verlag | 1995|Keywords: molecular mechanics. -
The impurity effect at the cubic iron nanocluster growth
Taylor & Francis Verlag | 2018|Keywords: molecular mechanics method -
Conformational Analysis of Some Dichloroalkanes
National licenceTaylor & Francis Verlag | 1989|Keywords: Conformational analysis Molecular mechanics calculations -
Conformational Analysis of Some Monochloroalkanes
National licenceTaylor & Francis Verlag | 1989|Keywords: molecular mechanics calculations -
Conformational Analysis of Some Chloro and Bromoalkanes
National licenceTaylor & Francis Verlag | 1988|Keywords: molecular mechanics calculations -
Barriers to Internal Rotation and Conformational Behaviour of the MESO and D,L Isomers of Pt(II) Complexes with Antitumour Activity
National licenceTaylor & Francis Verlag | 2000|Keywords: molecular mechanics -
A CHARMm Based Force Field for Carbohydrates Using the CHEAT Approach: Carbohydrate Hydroxyl Groups Represented by Extended Atoms
National licenceTaylor & Francis Verlag | 1993|Keywords: molecular mechanics, conformational analysis -
What Can Be Learnt from Computer-Generated Models of Interactions Between DNA and Pt(II) Based Anti-Cancer Drugs?
National licenceTaylor & Francis Verlag | 1992|Keywords: molecular mechanics -
HDAC inhibition through valproic acid modulates the methylation profiles in human embryonic kidney cells
Taylor & Francis Verlag | 2015|Keywords: molecular mechanics-generalised born surface area -
A molecular mechanics investigation of the structures and energetics of two classes of Ru(II) complexes with applications in homogeneous catalysis
Taylor & Francis Verlag | 2006|Keywords: Molecular mechanics simulations -
Molecular Dynamics Conformational Search for the Factors that Determine Conformation of Modified Cyclodextrins
National licenceTaylor & Francis Verlag | 1998|Keywords: molecular mechanics -
An electro-conductive fluid as a responsive implant for the controlled stimuli-release of diclofenac sodium
Taylor & Francis Verlag | 2016|Keywords: molecular mechanics simulations -
REVIEW: THE CHEMISTRY OF CHELATES WITH N-ALKYLATED AMINO ACIDS
National licenceTaylor & Francis Verlag | 1994|Keywords: molecular mechanics -
Exploring the potency of currently used drugs against HIV-1 protease of subtype D variant by using multiscale simulations
Taylor & Francis Verlag | 2021|Keywords: molecular-mechanics Poisson-Boltzmann surface area (MM-PBSA) -
A novel pH-dependant and double crosslinked polymethacrylate-based polysphere matrix for enteric delivery of isoniazid
Taylor & Francis Verlag | 2013|Keywords: molecular mechanics simulations -
Computational Chemistry: Application to Biological Systems
Taylor & Francis Verlag | 2001|Keywords: Molecular Mechanics -
CHROMATOGRAPHIC RESOLUTION MECHANISM OF A TRIS(1, 10-PHENANTHROLINE)SILICON(IV) COMPLEX
National licenceTaylor & Francis Verlag | 1996|Keywords: molecular mechanics calculation -
Binding Properties and Molecular Mechanics Calculations of p-tert-Butylhexahomotrioxacalix[3]arene Tri(diethyl)amide with Alkali, Alkaline Earth, Transition and Heavy Metal Cations
Taylor & Francis Verlag | 2007|Keywords: Molecular mechanics calculation -
Computational and Theoretical Chemistry in Structure-Reactivity Studies of Organophosphorus Compounds
National licenceTaylor & Francis Verlag | 1999|Keywords: molecular mechanics
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