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Molecular modelling
Known as:
Molecular modeling
, Molecular simulations
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used…
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Related topics
Related topics
50 relations
Austin Model 1
AutoDock
BALL project
BindingDB
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Broader (2)
Bioinformatics
Computational chemistry
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2005
2005
Ontological Analyses Reconsidered-A Formal Approach
Andreas Gehlert
,
W. Esswein
2005
Corpus ID: 2361771
Ontological analyses have been used in numerous publications to compare existing modelling grammars with an Ontology. Each…
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2005
2005
Efficient Bounding Volume Hierarchies for Hair Simulation
G. Sobottka
,
Andreas Weber
2005
Corpus ID: 19011613
This invention relates to a process for multiple-coat reverse coating using at least two different polyurethane coating solutions…
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2004
2004
Phenomenological modelling of the material behaviour of carbon black-filled rubber in continuum mechanics
A. Lion
2004
Corpus ID: 138223542
This paper proposes modelling concepts to represent the Mullins effect, rate dependence and the Payne effect. As a fundamental…
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2003
2003
Kinetic modeling of pilot plant photomineralization of aqueous Cibacron CR as model molecule of industrial azo dyes on titanium dioxide-immobilizing membranes
F. Ascari
,
I. R. Bellobono
,
P. M. Tozzi
2003
Corpus ID: 97784107
Highly Cited
2003
Highly Cited
2003
Molecular Modelling for Beginners
A. Hinchliffe
2003
Corpus ID: 93982414
Chapter 1: Electric charges and their properties. 1.1 Point Charges. 1.2 Coulomb's Law. 1.3 Pair wise additivity. 1.4 The…
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1998
1998
Large scale molecular simulations with application to polymers and nano-scale materials
Guanghua Gao
1998
Corpus ID: 136004480
There remain practical problems to predicting structures and properties of materials from first principles, though the foundation…
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1997
1997
Atomistic simulation of interfaces in materials: theory and applications
I. Yarovsky
1997
Corpus ID: 56360666
The theoretical background, methodology and some applications of atomistic simulation of interfaces in materials are described in…
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1995
1995
The gas, liquid, and solid phases of dimerizing hard spheres and hard‐sphere dumbbells
R. Sear
,
G. Jackson
1995
Corpus ID: 59388330
The complete phase diagram of a model associating molecule is determined, including the gas, liquid, and solid phases, the…
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1981
1981
Thermodynamics of interfacial phenomena
D. H. Everett
1981
Corpus ID: 54739192
Abstract
Highly Cited
1977
Highly Cited
1977
DEOTERIUM MAGNETIC RESONANCE OF SOME POLYMORPHIC LIQUID CRYSTALS: THE CONFORMATION OF THE ALIPHATIC END CHAINS
S. Hsi
,
H. Zimmermann
,
Zeev Luz
1977
Corpus ID: 54072900
Preprmt LBL~6~76 ( •• ~ TWO-WEEK LOAN COpy This is a Library Circulating Copy which may be borrowed for two weeks. For a personal…
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