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1

Nonequilibrium free-energy calculation of solids using LAMMPS

Freitas, Rodrigo, Asta, Mark, de Koning, Maurice

Journal:

Computational Materials Science

Year:

2016

Language:

english

File:

PDF, 715 KB

english, 2016

2

Nonequilibrium free-energy calculations of fluids using LAMMPS

Paula Leite, Rodolfo, de Koning, Maurice

Journal:

Computational Materials Science

Year:

2019

Language:

english

File:

PDF, 2.27 MB

english, 2019

3

Effects of spirulina and wakame consumption on intestinal cholesterol absorption and serum lipid concentrations in non-hypercholesterolemic adult men and women

van den Driessche, José J., Plat, Jogchum, Konings, Maurice C. J. M., Mensink, Ronald P.

Journal:

European Journal of Nutrition

Year:

2019

Language:

english

File:

PDF, 655 KB

english, 2019

4

Mst4 and Ezrin Induce Brush Borders Downstream of the Lkb1/Strad/Mo25 Polarization Complex

Jean Paul ten Klooster, Marnix Jansen, Jin Yuan, Viola Oorschot, Harry Begthel, Valeria Di Giacomo, Frédéric Colland, John de Koning, Madelon M. Maurice, Peter Hornbeck, Hans Clevers

Journal:

Developmental Cell

Year:

2009

Language:

english

File:

PDF, 1.80 MB

english, 2009

5

Adaptive importance sampling Monte Carlo simulation of rare transition events

de Koning, Maurice, Cai, Wei, Sadigh, Babak, Oppelstrup, Tomas, Kalos, Malvin H., Bulatov, Vasily V.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 520 KB

english, 2005

6

Vacancy Interaction with Dislocations in Silicon: The Shuffle-Glide Competition

Justo, João F., de Koning, Maurice, Cai, Wei, Bulatov, Vasily V.

Journal:

Physical Review Letters

Year:

2000

Language:

english

File:

PDF, 72 KB

english, 2000

7

Single-simulation determination of phase boundaries: A dynamic Clausius–Clapeyron integration method

de Koning, Maurice, Antonelli, Alex, Yip, Sidney

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 366 KB

english, 2001

8

Optimized Free-Energy Evaluation Using a Single Reversible-Scaling Simulation

de Koning, Maurice, Antonelli, A., Yip, Sidney

Journal:

Physical Review Letters

Year:

1999

Language:

english

File:

PDF, 64 KB

english, 1999

9

Postprandial plasma oxyphytosterol concentrations after consumption of plant sterol or stanol enriched mixed meals in healthy subjects

Baumgartner, Sabine, Mensink, Ronald P., Konings, Maurice, Schött, Hans-F., Friedrichs, Silvia, Husche, Constanze, Lütjohann, Dieter, Plat, Jogchum

Journal:

Year:

2015

Language:

english

File:

PDF, 697 KB

english, 2015

10

Anomalous Diffusion of Water Molecules at Grain Boundaries in Ice I h

Moreira, Pedro A. F. P., Veiga, Roberto Gomes de Aguiar, Ribeiro, Ingrid de Almeida, Freitas, Rodrigo, Helfferich, Julian, de Koning, Maurice

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 9.23 MB

english, 2018

11

Espaces verts comme une alternative de conservation de la biodiversité en villes : le cas des fourmis (Hyménoptère : Formicidae) dans le district d’Abidjan (Côte d’Ivoire)

Kouakou, Lombart M. Maurice, Yeo, Kolo, Kone, Mouhamadou, Ouattara, Kaly, Kouakou, Aymard K., Delsinne, Thibaut, Dekoninck, Wouter

Journal:

Journal of Applied Biosciences

Year:

2019

File:

PDF, 938 KB

2019

12

Multiscale model of the role of grain boundary structures in the dynamic intergranular failure of polycrystal aggregates

Galvis, Andres F., Santos-FlÃ³rez, Pedro A., Sollero, Paulo, de Koning, Maurice, Wrobel, Luiz C.

Journal:

Computer Methods in Applied Mechanics and Engineering

Year:

2020

Language:

english

File:

PDF, 5.28 MB

english, 2020

13

Cytochrome P-450 dependent (+)-limonene-6-hydroxylation in fruits of caraway (Carum carvi)

Harro J Bouwmeester, Maurice C.J.M Konings, Jonathan Gershenzon, Frank Karp, Rodney Croteau

Journal:

Year:

1999

Language:

english

File:

PDF, 257 KB

english, 1999

14

Point defect interaction with dislocations in silicon

João F Justo, Maurice de Koning, Wei Cai, Vasily V Bulatov

Journal:

Materials Science and Engineering: A

Year:

2001

Language:

english

File:

PDF, 111 KB

english, 2001

15

Zero-Point Vacancy Concentration in

Renato Pessoa, Maurice de Koning, Silvio Antonio Vitiello

Journal:

Journal of Statistical Physics

Year:

2009

Language:

english

File:

PDF, 382 KB

english, 2009

16

First-principles modeling of lattice defects: advancing our insight into the structure-properties relationship of ice

Maurice de Koning

Journal:

Scientific Modeling and Simulation SMNS

Year:

2008

Language:

english

File:

PDF, 1.02 MB

english, 2008

17

Distribution oface-1Rand resistance to carbamates and organophosphates inAnopheles gambiae s.s.populations from Côte d'Ivoire

Ludovic P Ahoua Alou, Alphonsine A Koffi, Maurice A Adja, Emmanuel Tia, Philippe K Kouassi, Moussa Koné, Fabrice Chandre

Journal:

Malaria Journal

Year:

2010

Language:

english

File:

PDF, 1.70 MB

english, 2010

18

Dynamics near a liquid-liquid phase transition in a non-tetrahedral liquid: The case of gallium

Cajahuaringa, Samuel, de Koning, Maurice, Antonelli, Alex

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.09 MB

english, 2012

19

Glass formation, structure and ionic conduction in the Na2SGeS2 system

Bernard Barrau, Michel Ribes, Maurice Maurin, Ali Kone, Jean-Louis Souquet

Journal:

Journal of Non-Crystalline Solids

Year:

1980

Language:

english

File:

PDF, 616 KB

english, 1980

20

Endovascular abdominal aortic aneurysm repair complicated by spondylodiscitis and iliaco-enteral fistula

Heleen D. de Koning, Steven M.M. van Sterkenburg, Maurice E.N. Pierie, Michel M.P.J. Reijnen

Journal:

Journal of Vascular Surgery

Year:

2008

Language:

english

File:

PDF, 384 KB

english, 2008

21

Update on resistance status ofAnopheles gambiae s.s.to conventional insecticides at a previous WHOPES field site, "Yaokoffikro", 6 years after the political crisis in Côte d'Ivoire

Alphonsine A Koffi, Ludovic P Ahoua Alou, Maurice A Adja, Moussa Koné, Fabrice Chandre, Raphael N’Guessan

Journal:

Parasites & Vectors

Year:

2012

Language:

english

File:

PDF, 192 KB

english, 2012

22

Theoretical evidence for a first-order liquid-liquid phase transition in gallium

Carvajal Jara, Diego Alejandro, Fontana Michelon, Mateus, Antonelli, Alex, de Koning, Maurice

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 658 KB

english, 2009

23

Trapping of Hydrochloric and Hydrofluoric Acid at Vacancies on and underneath the Ice I h Basal-Plane Surface

Pinheiro Moreira, Pedro Augusto Franco, de Koning, Maurice

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.17 MB

english, 2013

24

Theoretical study of the thermodynamic and kinetic properties of self-interstitials in aluminum and nickel

Ramos de Debiaggi, Susana, de Koning, Maurice, Monti, Ana María

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 114 KB

english, 2006

25

Importance sampling of rare transition events in Markov processes

Cai, Wei, Kalos, Malvin H., de Koning, Maurice, Bulatov, Vasily V.

Journal:

Physical Review E

Year:

2002

Language:

english

File:

PDF, 184 KB

english, 2002

26

A step toward the reactivation of aged cholinesterases – Crystal structure of ligands binding to aged human butyrylcholinesterase

Wandhammer, Marielle, de Koning, Martijn, van Grol, Marco, Loiodice, Mélanie, Saurel, Laura, Noort, Daan, Goeldner, Maurice, Nachon, Florian

Journal:

Chemico-Biological Interactions

Year:

2013

Language:

english

File:

PDF, 436 KB

english, 2013

27

Hepatocyte-specific Dyrk1a gene transfer rescues plasma apolipoprotein A-I levels and aortic Akt/GSK3 pathways in hyperhomocysteinemic mice

Tlili, Asma, Jacobs, Frank, de Koning, Leanne, Mohamed, Sirine, Bui, Linh-Chi, Dairou, Julien, Belin, Nicole, Ducros, Véronique, Dubois, Thierry, Paul, Jean-Louis, Delabar, Jean-Maurice, De Geest, Bar

Journal:

Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease

Year:

2013

Language:

english

File:

PDF, 1.11 MB

english, 2013

28

Ideal Shear Strength of a Quantum Crystal

Borda, Edgar Josué Landinez, Cai, Wei, de Koning, Maurice

Journal:

Physical Review Letters

Year:

2014

Language:

english

File:

PDF, 515 KB

english, 2014

29

On the Trapping of Bjerrum Defects in Ice I h : The Case of the Molecular Vacancy

de Koning, Maurice, Antonelli, Alex

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 239 KB

english, 2007

30

symmetry

de Koning, Maurice, Antonelli, Alex, Jara, Diego Alejandro Carvajal

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 219 KB

english, 2009

31

Minimizing Boundary Reflections in Coupled-Domain Simulations

Cai, Wei, de Koning, Maurice, Bulatov, Vasily V., Yip, Sidney

Journal:

Physical Review Letters

Year:

2000

Language:

english

File:

PDF, 96 KB

english, 2000

32

Fatty acid chain length and saturation influences PPARα transcriptional activation and repression in HepG2 cells

Popeijus, Herman E., van Otterdijk, Sanne D., van der Krieken, Sophie E., Konings, Maurice, Serbonij, Kenrick, Plat, Jogchum, Mensink, Ronald P.

Journal:

Molecular Nutrition & Food Research

Year:

2014

Language:

english

File:

PDF, 464 KB

english, 2014

33

Structure and energetics of extended defects in ice I

Silva Junior, Domingos L., de Koning, Maurice

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 946 KB

english, 2012

34

Atomistic calculation of vacancy-formation free energies by reversible vacancy creation

de Koning, Maurice, Ramos de Debiaggi, Susana, Monti, Ana M.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 107 KB

english, 2004

35

Atomistic prediction of equilibrium vacancy concentrations in

de Koning, Maurice, Miranda, Caetano R., Antonelli, Alex

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 94 KB

english, 2002

36

He: Path-integral Monte Carlo results versus experiment

Ardila, Luis Aldemar Peña, Vitiello, Silvio A., de Koning, Maurice

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 295 KB

english, 2011

37

Dislocation Mobility in a Quantum Crystal: The Case of Solid

Pessoa, Renato, Vitiello, S. A., de Koning, Maurice

Journal:

Physical Review Letters

Year:

2010

Language:

english

File:

PDF, 714 KB

english, 2010

38

Revisiting dynamics near a liquid-liquid phase transition in Si and Ga: The fragile-to-strong transition

Cajahuaringa, Samuel, de Koning, Maurice, Antonelli, Alex

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.23 MB

english, 2013

39

Optimizing the driving function for nonequilibrium free-energy calculations in the linear regime: A variational approach

de Koning, Maurice

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 331 KB

english, 2005

40

Comment on “Quantum Thermal Bath for Molecular Dynamics Simulation”

Barrozo, Alexandre H., de Koning, Maurice

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 79 KB

english, 2011

41

He: Path-integral Monte Carlo results versus experiment [Phys. Rev. B 84 , 094119 (2011)]

Ardila, Luis Aldemar Peña, Vitiello, Silvio A., de Koning, Maurice

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 33 KB

english, 2012

42

Orientational Defects in Ice Ih: An Interpretation of Electrical Conductivity Measurements

de Koning, Maurice, Antonelli, Alex, da Silva, Antonio J. R., Fazzio, A.

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 415 KB

english, 2006

43

Anomalous Dislocation Multiplication in FCC Metals

de Koning, Maurice, Cai, Wei, Bulatov, Vasily V.

Journal:

Physical Review Letters

Year:

2003

Language:

english

File:

PDF, 580 KB

english, 2003

44

Structure and Energetics of Molecular Point Defects in Ice

de Koning, Maurice, Antonelli, Alex, da Silva, Antonio J. R., Fazzio, A.

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 392 KB

english, 2006

45

Acute Intake of Plant Stanol Esters Induces Changes in Lipid and Lipoprotein Metabolism-Related Gene Expression in the Liver and Intestines of Mice

De Smet, Els, Mensink, Ronald P., Konings, Maurice, Brufau, Gemma, Groen, Albert K., Havinga, Rick, Schonewille, Marleen, Kerksiek, Anja, Lütjohann, Dieter, Plat, Jogchum

Journal:

Year:

2015

Language:

english

File:

PDF, 770 KB

english, 2015

46

Modelling grain-boundary resistance in intergranular dislocation slip transmission

Koning, Maurice De, Miller, R., Bulatov, V.V., Abraham, Farid F.

Journal:

Philosophical Magazine A

Year:

2002

Language:

english

File:

PDF, 631 KB

english, 2002

47

Modeling equilibrium concentrations of Bjerrum and molecular point defects and their complexes in ice I[sub h]

de Koning, Maurice, Antonelli, Alex

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1013 KB

english, 2008

48

Publisher’s Note: “Optimizing the driving function for nonequilibrium free-energy calculations in the linear regime: A variational approach” [J. Chem. Phys. 122, 104106 (2005)]

de Koning, Maurice

Journal:

The Journal of Chemical Physics

Year:

2005

File:

PDF, 40 KB

2005

49

Nuclear quantum fluctuations in ice I h

Moreira, Pedro Augusto Franco Pinheiro, de Koning, Maurice

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.28 MB

english, 2015

50

Prophylactic treatment for delayed chemotherapy-induced nausea and vomiting after non-AC based moderately emetogenic chemotherapy: a systematic review of randomized controlled trials

van der Vorst, Maurice J. D. L, Neefjes, Elisabeth C. W., Konings, Inge R. H. M., Verheul, Henk M. W.

Journal:

Supportive Care in Cancer

Year:

2015

Language:

english

File:

PDF, 175 KB

english, 2015