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Synonyms were used for: molecular mechanics
Search without synonyms: keywords:("molecular mechanics")
Used synonyms:
- molekulare mechanik
- molekularmechanik
-
Protein Structure Prediction with a Combined Solvation Free Energy-Molecular Mechanics Force Field
National licenceTaylor & Francis Verlag | 1993|Keywords: molecular mechanics -
Theoretical Studies of Solvent Effect on Normal Mode Analysis and Thermodynamic Properties of Zigzag (5, 0) Carbon Nanotube
Taylor & Francis Verlag | 2011|Keywords: molecular mechanics -
Conformational Analysis of Meso-1, 2, 4, 5-Tetrabromopentane
National licenceTaylor & Francis Verlag | 1991|Keywords: Molecular mechanics calculations -
A discrete interaction model/quantum mechanical method for simulating nonlinear optical properties of molecules near metal surfaces
Taylor & Francis Verlag | 2013|Keywords: polarisable quantum mechanics/molecular mechanics method -
Refined models of New Delhi metallo-beta-lactamase-1 with inhibitors: an QM/MM modeling study
Taylor & Francis Verlag | 2016|Keywords: quantum mechanics/molecular mechanics molecular dynamics -
Ab initio fragment molecular orbital calculations on the specific interactions between human, mouse and rat PPARα and GW409544
Taylor & Francis Verlag | 2010|Keywords: molecular mechanics -
STEREOCHEMISTRY OF COMPLEXES WITH N-ALKYLATED AMINO ACIDS. XI. CRYSTAL STRUCTURE AND MOLECULAR MECHANICS CALCULATIONS ON RACEMIC AQUABIS(L-N,N-DIMETHYLVALINATO)COPPER(II)
National licenceTaylor & Francis Verlag | 1995|Keywords: molecular mechanics -
Insights into structural features of HDAC1 and its selectivity inhibition elucidated by Molecular dynamic simulation and Molecular Docking
Taylor & Francis Verlag | 2019|Keywords: molecular mechanics-generalized-Born surface area, MM – molecular mechanics, MMGBSA – Molecular-Mechanics-Generalized-Born-Surface-Area -
Solution Structures of Coordination Compounds
National licenceTaylor & Francis Verlag | 1994|Keywords: molecular mechanics -
Molecular Design and Non-Linear Optical Properties in the Series of Substituted Dicyanovinylaromatics
National licenceTaylor & Francis Verlag | 1998|Keywords: molecular mechanics -
The Influence of a Chiral Amino Acid on the Helical Handedness of PNA in Solution and in Crystals
Taylor & Francis Verlag | 2004|Keywords: Molecular mechanics -
Molecular Design with Transparallel Supercomputers
National licenceTaylor & Francis Verlag | 1989|Keywords: molecular mechanics -
Transcription Regulation by Steroid Hormones: A Computer Simulation Study
Taylor & Francis Verlag | 1992|Keywords: Molecular mechanics calculations -
Calculated values of the adhesion of phenol-formaldehyde oligomers to crystalline cellulose II
Taylor & Francis Verlag | 1993|Keywords: molecular mechanics -
A CFF 91-based Continuum Solvation Model: Solvation Free Energies of Small Organic Molecules and Conformations of the Alanine Dipeptide in Solution
National licenceTaylor & Francis Verlag | 1994|Keywords: Molecular mechanics -
THE VIBRATIONAL SPECTRA OF COBALT AND IRON CYCLIDENE DIOXYGEN COMPLEXES AND THEIR RELATION TO MOLECULAR GEOMETRY
National licenceTaylor & Francis Verlag | 1993|Keywords: molecular mechanics -
Investigating the mechanism of recognition and structural dynamics of nucleoprotein-RNA complex from Peste des petits ruminants virus via Gaussian accelerated molecular dynamics simulations
Taylor & Francis Verlag | 2022|Keywords: Molecular mechanics-generalized born surface area (MM-GBSA) -
Molecular modeling of formate dehydrogenase: the formation of the Michaelis complex
Taylor & Francis Verlag | 2012|Keywords: molecular mechanics -
Structure-Activity Relationship of Phloroglucinol Compounds from Eucalyptus as Marine Antifoulants
Free accessTaylor & Francis Verlag | 1999|Keywords: molecular mechanics calculation -
On the Simulation of Conformational Transitions: Smoothing Path Energy Minimization Results
National licenceTaylor & Francis Verlag | 1995|Keywords: Molecular mechanics -
STEREOCHEMISTRY OF (R)-2-METHYLAZIRIDINE COMPLEXES OF COBALT(III) AND DIMERIZATION OF THE LIGAND
National licenceTaylor & Francis Verlag | 1997|Keywords: molecular mechanics calculation -
Vibrational Spectra, Normal Coordinate Calculations, and Molecular Mechanics Calculations for 2, 3, 3-Trimethyl-1-Butene
National licenceTaylor & Francis Verlag | 1994|Keywords: molecular mechanics calculations -
Crystalline inclusion compounds of a new diol host featuring a combination of anthracene and 9-fluorenol units
Taylor & Francis Verlag | 2012|Keywords: molecular mechanics calculation -
Conformational Analysis of 1,2-Dichlorobutane
National licenceTaylor & Francis Verlag | 1989|Keywords: Molecular mechanics calculations -
Binding, Molecular Mechanics, and Thermodynamics of Cyclodextrin Inclusion Complexes with Ketoprofen in Aqueous Medium
Taylor & Francis Verlag | 1998|Keywords: Molecular mechanics -
Identification of potent anti-fibrinolytic compounds against plasminogen and tissue-type plasminogen activator employing in silico approaches
Taylor & Francis Verlag | 2024|Keywords: Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) -
CONFORMATIONAL ANALYSIS OF 1,l′-(METHYLPHOSPHINYLIDENE): BIS(METHANAMINE) AND ITS PLATINUM(II) COMPLEX
National licenceTaylor & Francis Verlag | 1997|Keywords: molecular mechanics -
Conformational Analysis of 3-Metbylbutyronitrile
National licenceTaylor & Francis Verlag | 1988|Keywords: Molecular mechanics calculations -
STEREOCHEMISTRY OF COMPLEXES WITH N-ALKYLATED AMINO ACIDS. IX. CRYSTAL STRUCTURE AND CONFORMATIONAL ANALYSIS OF AQUABIS (L-N-BENZYLALANINATO)COPPER(II) MONOHYDRATE
National licenceTaylor & Francis Verlag | 1995|Keywords: molecular mechanics -
Calculation of the specific energy change in an iron-based BCC nanocluster
Taylor & Francis Verlag | 2018|Keywords: Nanocluster; Specific energy; Tetrahedral and octahedral interstice; Molecular mechanics method; Carbon -
Molecular simulations of in-plane stiffness and shear modulus of double-walled carbon nanotubes
Taylor & Francis Verlag | 2008|Keywords: molecular mechanics -
Homology Model of the CDK1/cyclin B Complex
Taylor & Francis Verlag | 2005|Keywords: Molecular mechanics -
Theoretical Studies on Radical Spin Arrangements in the Cavity of Nanoporous Complexes
National licenceTaylor & Francis Verlag | 2000|Keywords: molecular mechanics -
SYNTHESIS AND SUBSTITUENT EFFECT ON 31P NMR CHEMICAL SHIFT OF ORTHO HYDROXYARYL DIALKYL PHOSPHINE OXIDES
National licenceTaylor & Francis Verlag | 1991|Keywords: molecular mechanics -
Molecular Modeling Studies on Molecular Recognition: Crown Ethers, Cryptands and Cryptates. From Static Models in vacuo to Dynamical Models in Solution
National licenceTaylor & Francis Verlag | 1992|Keywords: molecular mechanics -
Vibrational and Conformational Analysis of 5-Methyl-2-Hexyne
National licenceTaylor & Francis Verlag | 1992|Keywords: molecular mechanics calculations -
Conforhational Analysis of 3,3-Dimethylheptane
National licenceTaylor & Francis Verlag | 1988|Keywords: Molecular mechanics calculations -
CONFORMATIONAL ANALYSIS OF DIALKYL (2,5-DIALKYL PYRROLIDIN-2-YL)PHOSPHONATES AND DIETHYL(2,5,5-TRIMETHYL PYRROLIDIN-2-YL)PHOSPHONATE BY X-RAY ANALYSIS, NMR AND FORCE FIELD CALCULATIONS
National licenceTaylor & Francis Verlag | 1996|Keywords: molecular mechanics -
STEREOCHEMISTRY OF COMPLEXES WITH N-ALKYLATED AMINO ACIDS. VII. CRYSTAL STRUCTURE OF BIS(N-tert-BUTYL-N-BENZYLGLYCINATO)COPPER(II). CONFORMATIONAL ANALYSIS AND MOLECULAR MECHANICS CALCULATIONS
National licenceTaylor & Francis Verlag | 1993|Keywords: molecular mechanics -
A molecular mechanics approach to the adhesion of urea-formaldehyde resins to cellulose. Part 1. Crystalline Cellulose I
Taylor & Francis Verlag | 1990|Keywords: molecular mechanics -
Interactions in Tetravalent and Pentavalent Phosphonate Esters of Ser at the Active Site of Serine Enzymes
National licenceTaylor & Francis Verlag | 1996|Keywords: molecular mechanics -
Mechanistic insight on the inhibition of D, D-carboxypeptidase from Mycobacterium tuberculosis by β-lactam antibiotics: an ONIOM acylation study
Taylor & Francis Verlag | 2022|Keywords: a two-layered our Own N-layer integrated molecular mechanics (ONIOM) -
A Free Energy Based Computational Pathway from Chemical Templates to Lead Compounds: A Case Study of COX-2 Inhibitors
Taylor & Francis Verlag | 2004|Keywords: Molecular mechanics -
Solvent interactions with β-Cyclodextrin as observed in crystal structures
Taylor & Francis Verlag | 2004|Keywords: molecular mechanics -
Computational basis of SARS-CoV 2 main protease inhibition: an insight from molecular dynamics simulation based findings
Taylor & Francis Verlag | 2022|Keywords: molecular mechanics/Generalized87 Born model and solvent accessibility (MM/GBSA) -
New molecular insights for 4H-1,2,4-triazole derivatives as inhibitors of tankyrase and Wnt-signaling antagonist: a molecular dynamics simulation study
Taylor & Francis Verlag | 2023|Keywords: molecular mechanics generalized born surface area -
STEREOCHEMISTRY OF COMPLEXES WITH N-ALKYLATED AMINO ACIDS. VII. CRYSTAL STRUCTURE OF BIS(N-tert-BUTYL-N-BENZYLGLYCINATO)COPPER(II). CONFORMATIONAL ANALYSIS AND MOLECULAR MECHANICS CALCULATIONS
National licenceTaylor & Francis Verlag | 1993|Keywords: molecular mechanics -
Vibrational and Conformational Analysis of 2-Methyl-1-butene
National licenceTaylor & Francis Verlag | 1993|Keywords: molecular mechanics calculations -
CONFORMATIONAL AND ELECTRONIC INTERACTION STUDIES OF α-SUBSTITUTED CARBONYL COMPOUNDS. XII. S-ETHYL α-HETERO-SUBSTITUTED THIOACETATES
National licenceTaylor & Francis Verlag | 1992|Keywords: molecular mechanics calculations -
STEREOCHEMISTRY OF COMPLEXES WITH N-ALKYLATED AMINO ACIDS. X. CRYSTAL STRUCTURE AND MOLECULAR MECHANICS CALCULATIONS FOR BIS(D,L-N,N-DIMETHYLVALINATO)COPPER(II)
National licenceTaylor & Francis Verlag | 1995|Keywords: molecular mechanics
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