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内部出版物
CNKI学位论文(136)
知网期刊论文(31)
在“
Elsevier电子期刊
”中,
命中:
24
条,耗时:0.0119908 秒
在所有数据库中总计命中:
167
条
1.
Solving the master equation without kinetic Monte
Carlo
: Tensor train approximations for a CO oxidation model
作者:
Patrick Gelß
;
;
p.gelss@fu-berlin.de" class="auth_mail" title="E-mail the corresponding author
;
Sebastian
Matera
matera
@math.fu-berlin.de" class="auth_mail" title="E-mail the corresponding author
;
Christof Schü
;
tte
schuette@mi.fu-berlin.de" class="auth_mail" title="E-mail the corresponding author
关键词:
Heterogeneous catalysis
;
Master equation
;
Kinetic Monte
Carlo
;
Tensor decompositions
;
Tensor train format
;
Alternating linear scheme
刊名:Journal of Computational Physics
出版年:2016
2.
kmos: A lattice kinetic Monte
Carlo
framework
作者:
Max J. Hoffmann
;
mjhoffmann@gmail.com" class="auth_mail
;
max.hoffmann@ch.tum.de" class="auth_mail
;
Sebastian
Matera
;
Karsten Reuter
karsten.reuter@ch.tum.de" class="auth_mail
关键词:
Lattice kinetic Monte
Carlo
;
Microkinetic modeling
;
First-principles multi-scale modeling
;
Heterogeneous catalysis
;
Graphical user interface
;
Python
;
Fortran90
;
Open source
刊名:Computer Physics Communications
出版年:July 2014
3.
The Bile Acid Receptor TGR5 Activates the TRPA1 Channel to Induce Itch in Mice
作者:
TinaMarie Lieu
1
;
Gihan Jayaweera
1
;
Peishen Zhao
1
;
Daniel P. Poole
1
;
2
;
Dane Jensen
1
;
Megan Grace
3
;
Peter McIntyre
3
;
Romke Bron
2
;
Yvette M. Wilson
2
;
Matteus Krappitz
4
;
Silke Haerteis
4
;
Christoph Korbmacher
4
;
Martin S. Steinhoff
5
;
Romina Nassini
6
;
Serena
Matera
zzi
6
;
Pierangelo Geppetti
6
;
Carlo
s U. Corvera
7
;
Nigel W. Bunnett
1
;
8
;
Nigel.Bunnett@Monash.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Liver
;
Mouse Model
;
Itching
;
Signal Transduction
刊名:Gastroenterology
出版年:2014
4.
When atomic-scale resolution is not enough: Spatial effects on in situ model catalyst studies
作者:
Sebastian
Matera
;
Karsten Reuter
关键词:
Heterogeneous catalysis
;
Multi-scale modeling
;
First-principles kinetic Monte
Carlo
;
Transport phenomena
;
In situ studies
;
Model catalysts
;
CO oxidation
刊名:Journal of Catalysis
出版年:2012
5.
A novel spirocyclic tropanyl-¦¤
2
-isoxazoline derivative enhances citalopram and paroxetine binding to serotonin transporters as well as serotonin uptake
作者:
Clelia Dallanoce
;
Mara Canovi
;
Carlo
Matera
;
Tiziana Mennini
;
Marco De Amici
;
Marco Gobbi
;
Carlo
De Micheli
关键词:
Cocaine-related derivatives
;
Spirocyclic ¦¤2-isoxazolines
;
Cycloaddition reaction
;
Binding affinity
;
Dopamine transporter
;
Serotonin transporter
;
Serotonin uptake potentiation
刊名:Bioorganic and Medicinal Chemistry
出版年:2012
6.
Examination of the concept of degree of rate control by first-principles kinetic Monte
Carlo
simulations
作者:
Hakim Meskine
;
Sebastian
Matera
;
Matthias Scheffler
;
Karsten Reuter
;
Horia Metiu
关键词:
Degree of rate control
;
Microkinetics
;
First-principles kinetic Monte
Carlo
;
Sensitivity analysis
刊名:Surface Science
出版年:2009
7.
Synthesis of novel chiral Δ
2
-isoxazoline derivatives related to ABT-418 and estimation of their affinity at neuronal nicotinic acetylcholine receptor subtypes
作者:
Clelia Dallanoce
;
Pietro Magrone
;
Carlo
Matera
;
Leonardo Lo Presti
;
Marco De Amici
;
Loredana Riganti
;
Francesco Clementi
;
Cecilia Gotti
;
Carlo
De Micheli
关键词:
Neuronal nicotinic acetylcholine receptors
;
ABT-418
;
1
;
3-Dipolar cycloaddition
;
Nicotinic ligands
;
Binding affinity
刊名:European Journal of Medicinal Chemistry
出版年:2010
8.
Novel tricyclic Δ
2
-isoxazoline and 3-oxo-2-methyl-isoxazolidine derivatives: Synthesis and binding affinity at neuronal nicotinic acetylcholine receptor subtypes
作者:
Clelia Dallanoce
;
Fabio Frigerio
;
Giuliana Martelli
;
Giovanni Grazioso
;
Carlo
Matera
;
Diego Yuri Pomè
;
Luca Pucci
;
Francesco Clementi
;
Cecilia Gotti
;
Marco De Amici
关键词:
Δ
;
2
-Isoxazoline and 3-oxo-isoxazolidine derivatives
;
Neuronal nicotinic acetylcholine receptors
;
Cytisine and ferruginine analogues
;
Binding affinity
;
Molecular modeling
刊名:Bioorganic and Medicinal Chemistry
出版年:2010
9.
Design of novel α7-subtype-preferring nicotinic acetylcholine receptor agonists: Application of docking and MM-PBSA computational approaches, synthetic and pharmacological studies
作者:
Giovanni Grazioso
;
Diego Yuri Pomè
;
Carlo
Matera
;
Fabio Frigerio
;
Luca Pucci
;
Cecilia Gotti
;
Clelia Dallanoce
;
Marco De Amici
关键词:
MM-PBSA
;
Neuronal nicotinic acetylcholine receptors
;
α
;
7 Selective nicotinic agonists
;
Binding affinity
刊名:Bioorganic and Medicinal Chemistry Letters
出版年:2009
10.
Transcranial Doppler and Transesophageal Echocardiography: Comparison of Both Techniques and Prospective Clinical Relevance of Transcranial Doppler in Patent Foramen Ovale Detection
作者:
Luigi Caputi
;
Maria Rita Carriero
;
Chiara Falcone
;
Eugenio Parati
;
Patrizia Piotti
;
Carlo
Matera
zzo
;
Gian Paolo Anzola
关键词:
Transcranial Doppler
;
transesophageal echocardiography
;
patent foramen ovale
;
stroke
;
right-to-left shunt
刊名:Journal of Stroke and Cerebrovascular Diseases
出版年:2009
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