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1

QMMMW: A wrapper for QM/MM simulations with Quantum ESPRESSO and LAMMPS

Ma, Changru, Martin-Samos, Layla, Fabris, Stefano, Laio, Alessandro, Piccinin, Simone

Journal:

Computer Physics Communications

Year:

2015

Language:

english

File:

PDF, 806 KB

english, 2015

2

Chronic fructose intake accelerates non-alcoholic fatty liver disease in the presence of essential hypertension

Lírio, Layla Mendonça, Forechi, Ludimila, Zanardo, Tadeu Caliman, Batista, Hiago Martins, Meira, Eduardo Frizera, Nogueira, Breno Valentim, Mill, José Geraldo, Baldo, Marcelo Perim

Journal:

Journal of Diabetes and its Complications

Year:

2015

Language:

english

File:

PDF, 997 KB

english, 2015

3

Simulation of Single Particle Displacement Damage in Silicon – Part III: First Principles Characterization of Defect Properties

Jay, Antoine, Hemeryck, Anne, Richard, Nicolas, Martin-Samos, Layla, Raine, Melanie, Le Roch, Alexandre, Mousseau, Normand, Goiffon, Vincent, Paillet, Philippe, Gaillardin, Marc, Magnan, Pierre

Journal:

IEEE Transactions on Nuclear Science

Year:

2018

Language:

english

File:

PDF, 1.93 MB

english, 2018

4

Sex-Dependent Effects of Dietary Genistein on Echocardiographic Profile and Cardiac GLUT4 Signaling in Mice

Leung, Lana, Martin, Joshua B., Lawmaster, Todd, Arthur, Kathryn, Broderick, Tom L., Al-Nakkash, Layla

Journal:

Evidence-based Complementary and Alternative Medicine

Year:

2016

Language:

english

File:

PDF, 1.76 MB

english, 2016

5

Overview of radiation induced point defects in silica-based optical fibers

Girard, Sylvain, Alessi, Antonino, Richard, Nicolas, Martin-Samos, Layla, De Michele, Vincenzo, Giacomazzi, Luigi, Agnello, Simonpietro, Francesca, Diego Di, Morana, Adriana, Winkler, Blaž, Reghioua,

Journal:

Reviews in Physics

Year:

2019

Language:

english

File:

PDF, 1.98 MB

english, 2019

6

IMPACT OF EUTROPHICATION ON BENTHIC FORAMINIFERA IN SEPETIBA BAY (RIO DE JANEIRO STATE, SE BRAZIL)

Alves Martins, Maria VirgÃnia, Pereira, Egberto, Figueira, Rubens Cesar Lopes, Oliveira, Thales, Pinto Simon, Anita Fernandes Souza, Terroso, Denise, Ramalho, JosÃ© Carlos Martins, Silva, Layla, Ferr

Journal:

Journal of Sedimentary Environments

Year:

2019

File:

PDF, 1.72 MB

2019

7

Catalytic Enantioselective Synthesis of Glutamic Acid Derivatives via Tandem Conjugate Addition—Elimination of Activated Allylic Acetates under Chiral PTC Conditions.

P. Veeraraghavan Ramachandran, Sateesh Madhi, Layla Bland-Berry, M. Venkat Ram Reddy, Martin J. O'Donnell

Journal:

Year:

2006

File:

PDF, 23 KB

2006

8

Aspects of point defects energetics and diffusion in SiO2 from first principles simulations

Guido Roma, Yves Limoge, Layla Martin-Samos

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2006

Language:

english

File:

PDF, 179 KB

english, 2006

9

A first principles study of positively charged oxygen vacancies migration in pure and Ge-doped amorphous silica

Richard Nicolas, Girard Sylvain, Martin-Samos Layla, Boukenter Aziz, Ouerdane Youcef, Meunier Jean-Pierre

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

2008

Language:

english

File:

PDF, 225 KB

english, 2008

10

SaX: An open source package for electronic-structure and optical-properties calculations in the GW approximation

Layla Martin-Samos, Giovanni Bussi

Journal:

Computer Physics Communications

Year:

2009

Language:

english

File:

PDF, 213 KB

english, 2009

11

Optical properties of silicon nanocrystallites in SiO2 matrix: Crystalline vs. amorphous case

Roberto Guerra, Ivan Marri, Rita Magri, Layla Martin-Samos, Olivia Pulci, Elena Degoli, Stefano Ossicini

Journal:

Superlattices and Microstructures

Year:

2009

Language:

english

File:

PDF, 1.34 MB

english, 2009

12

A novel, multi-layered methanotrophic microbial mat system growing on the sediment of the Black Sea

Martin Krüger, Martin Blumenberg, Sabine Kasten, Andrea Wieland, Layla Känel, Jan-Hendrik Klock, Walter Michaelis, Richard Seifert

Journal:

Environmental Microbiology

Year:

2008

Language:

english

File:

PDF, 590 KB

english, 2008

13

Lithium-mediated suppression of morphogenesis and growth in Candida albicans

Layla F. Martins, Monica Montero-Lomelí, Claudio A. Masuda, Fabio S.A. Fortes, Jose O. Previato, Lucia Mendonça-Previato

Journal:

FEMS Yeast Research

Year:

2008

Language:

english

File:

PDF, 263 KB

english, 2008

14

Antidiabetic activity of Vatairea macrocarpa extract in rats

Helder C. Oliveira, Maísa P. dos Santos, Rafael Grigulo, Layla L. Lima, Domingos T.O. Martins, Joaquim C.S. Lima, Luiz F. Stoppiglia, Carbene F. Lopes, Nair H. Kawashita

Journal:

Journal of Ethnopharmacology

Year:

2008

Language:

english

File:

PDF, 372 KB

english, 2008

15

First principle study of neutral and charged self-defects in amorphous SiO2

Nicolas Richard, Layla Martin-Samos, Guido Roma, Yves Limoge, Jean-Paul Crocombette

Journal:

Journal of Non-Crystalline Solids

Year:

2005

Language:

english

File:

PDF, 161 KB

english, 2005

16

Dietary Genistein Induces Sex-Dependent Effects on Murine Body Weight, Serum Profiles, and Vascular Function of Thoracic Aortae

Al-Nakkash, Layla, Martin, Joshua B., Petty, David, Lynch, Shaina M., Hamrick, Cristina, Lucy, Dana, Robinson, John, Peterson, Amity, Rubin, Leona J., Broderick, Tom L.

Journal:

Gender Medicine

Year:

2012

Language:

english

File:

PDF, 787 KB

english, 2012

17

Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car–Parrinello calculations

Varini, Nicola, Ceresoli, Davide, Martin-Samos, Layla, Girotto, Ivan, Cavazzoni, Carlo

Journal:

Computer Physics Communications

Year:

2013

Language:

english

File:

PDF, 322 KB

english, 2013

18

Effect of Molecular Packing on Corannulene-Based Materials Electroluminescence

Zoppi, Laura, Martin-Samos, Layla, Baldridge, Kim K.

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 5.20 MB

english, 2011

19

schemes

Ferretti, Andrea, Mallia, Giuseppe, Martin-Samos, Layla, Bussi, Giovanni, Ruini, Alice, Montanari, Barbara, Harrison, Nicholas M.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.08 MB

english, 2012

20

Catalytic Enantioselective Synthesis of Glutamic Acid Derivatives via Tandem Conjugate Addition−Elimination of Activated Allylic Acetates under Chiral PTC Conditions

Ramachandran, P. Veeraraghavan, Madhi, Sateesh, Bland-Berry, Layla, Ram Reddy, M. Venkat, O'Donnell, Martin J.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 67 KB

english, 2005

21

Structure–Property Relationships of Curved Aromatic Materials from First Principles

Zoppi, Laura, Martin-Samos, Layla, Baldridge, Kim K.

Journal:

Accounts of Chemical Research

Year:

2014

Language:

english

File:

PDF, 9.85 MB

english, 2014

22

matrix: Role of disorder and size

Guerra, Roberto, Marri, Ivan, Magri, Rita, Martin-Samos, Layla, Pulci, Olivia, Degoli, Elena, Ossicini, Stefano

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 900 KB

english, 2009

23

: Valence alternation pair model

Martin-Samos, Layla, Limoge, Yves, Roma, Guido

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 247 KB

english, 2007

24

Determinants of postoperative abscess occurrence and percutaneous drainage in children with perforated appendicitis

Emil, Sherif, Elkady, Sherif, Shbat, Layla, Youssef, Fouad, Baird, Robert, Laberge, Jean-Martin, Puligandla, Pramod, Shaw, Kenneth

Journal:

Pediatric Surgery International

Year:

2014

Language:

english

File:

PDF, 180 KB

english, 2014

25

Benefits of an abridged antibiotic protocol for treatment of gangrenous appendicitis

Shbat, Layla, Emil, Sherif, Elkady, Sherif, Baird, Robert, Laberge, Jean-Martin, Puligandla, Pramod, Shaw, Kenneth

Journal:

Journal of Pediatric Surgery

Year:

2014

Language:

english

File:

PDF, 175 KB

english, 2014

26

from first principles

Martin-Samos, Layla, Bussi, Giovanni, Ruini, Alice, Molinari, Elisa, Caldas, Marília J.

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 268 KB

english, 2010

27

Oxygen and Silicon Self-Diffusion in Quartz and Silica: The Contribution of First Principles Calculations

Roma, Guido, Limoge, Yves, Martin-Samos, Layla

Journal:

Defect and Diffusion Forum

Year:

2006

Language:

english

File:

PDF, 338 KB

english, 2006

28

Oxygen Self-Diffusion Mechanisms in Silica by First-Principles

Martin-Samos, Layla, Limoge, Yves, Crocombette, J.P., Roma, Guido, Richard, N.

Journal:

Defect and Diffusion Forum

Year:

2005

Language:

english

File:

PDF, 195 KB

english, 2005

29

Caenorhabditis elegans selects distinct crawling and swimming gaits via dopamine and serotonin

Andrés Vidal-Gadea, Stephen Topper, Layla Young, Ashley Crisp, Leah Kressin, Erin Elbel, Thomas Maples, Martin Brauner, Karen Erbguth, Abram Axelrod, Alexander Gottschalk, Dionicio Siegel and Jonathan

Journal:

Proceedings of the National Academy of Sciences

Year:

2011

Language:

english

File:

PDF, 1.97 MB

english, 2011

30

ChemInform Abstract: Structure-Property Relationships of Curved Aromatic Materials from First Principles

Zoppi, Laura, Martin-Samos, Layla, Baldridge, Kim K.

Journal:

Year:

2015

File:

PDF, 12 KB

2015

31

[ACM Press the 6th International Conference - Montréal, Québec, Canada (2016.04.11-2016.04.13)] Proceedings of the 6th International Conference on Digital Health Conference - DH '16 - Analyzing Taste Preferences From Crowdsourced Food Entries

Howell, Patrick D., Martin, Layla D., Salehian, Hesamoddin, Lee, Chul, Eastman, Kyler M., Kim, Joohyun

Year:

2016

Language:

english

File:

PDF, 1.09 MB

english, 2016

32

Irradiation temperature influence on the in-situ measured radiation induced attenuation of Ge-doped fibers

Alessi, Antonino, Di Francesca, Diego, Girard, Sylvain, Agnello, Simone, Cannas, Marco, Reghioua, Imene, Martin-Samos, Layla, Marcandella, Claude, Richard, Nicolas, Paillet, Philippe, Boukenter, Aziz,

Journal:

IEEE Transactions on Nuclear Science

Year:

2016

Language:

english

File:

PDF, 782 KB

english, 2016

33

Microbial community structure and dynamics in thermophilic composting viewed through metagenomics and metatranscriptomics

Antunes, Luciana Principal, Martins, Layla Farage, Pereira, Roberta Verciano, Thomas, Andrew Maltez, Barbosa, Deibs, Lemos, Leandro Nascimento, Silva, Gianluca Major Machado, Moura, Livia Maria Silva,

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 1.29 MB

english, 2016

34

Characterization of mycobacteria and mycobacteriophages isolated from compost at the São Paulo Zoo Park Foundation in Brazil and creation of the new mycobacteriophage Cluster U

Lima-Junior, James Daltro, Viana-Niero, Cristina, Conde Oliveira, Daniel V., Machado, Gabriel Esquitini, Rabello, Michelle Cristiane da Silva, Martins-Junior, Joaquim, Martins, Layla Farage, Digiampie

Journal:

BMC Microbiology

Year:

2016

Language:

english

File:

PDF, 4.04 MB

english, 2016

35

Cathodoluminescence Characterization of Point Defects in Optical Fibers

Reghioua, Imene, GIRARD, Sylvain, Raine, Melanie, Alessi, Antonino, Di Francesca, Diego, Fanetti, Mattia, Martin-Samos, Layla, RICHARD, Nicolas, Valant, Matjaz, Boukenter, Aziz, OUERDANE, Youcef

Journal:

IEEE Transactions on Nuclear Science

Year:

2016

Language:

english

File:

PDF, 808 KB

english, 2016

36

Correlations between Structural and Optical Properties of Peroxy Bridges from First Principles

Winkler, Blaž, Martin-Samos, Layla, Richard, Nicolas, Giacomazzi, Luigi, Alessi, Antonino, Girard, Sylvain, Boukenter, Aziz, Ouerdane, Youcef, Valant, Matjaz

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 3.01 MB

english, 2017

37

Modeling the heat inactivation of foodborne pathogens in milk powder: High relevance of the substrate water activity

Lang, Emilie, Chemlal, Layla, Molin, Paul, Guyot, Stéphane, Alvarez-Martin, Pablo, Perrier-Cornet, Jean-Marie, Dantigny, Philippe, Gervais, Patrick

Journal:

Food Research International

Year:

2017

Language:

english

File:

PDF, 841 KB

english, 2017

38

Optical Properties of Saturated and Unsaturated Carbonyl Defects in Polyethylene

Roma, Guido, Bruneval, Fabien, Martin-Samos, Layla

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 2.40 MB

english, 2018

39

Differentiation of Human Induced Pluripotent Stem Cell under Flow Conditions to Mature Hepatocytes for Liver Tissue Engineering

Starokozhko, Viktoriia, Hemmingsen, Mette, Larsen, Layla, Mohanty, Soumyaranjan, Merema, Marjolijn, Rodrigo Pimentel, C., Wolff, Anders, Emnéus, Jenny, Aspegren, Anders, Groothuis, Geny, Dufva, Martin

Journal:

Journal of Tissue Engineering and Regenerative Medicine

Year:

2018

Language:

english

File:

PDF, 860 KB

english, 2018

40

Manchette-acrosome disorders during spermiogenesis and low efficiency of seminiferous tubules in hypercholesterolemic rabbit model

Simón, Layla, Funes, Abi K., Yapur, Martín A., Cabrillana, María E., Monclus, María A., Boarelli, Paola V., Vincenti, Amanda E., Saez Lancellotti, Tania E., Fornés, Miguel W., Drevet, Joël R.

Journal:

Year:

2017

Language:

english

File:

PDF, 2.48 MB

english, 2017

41

A Double-Blind Randomized Controlled Trial of Maternal Postpartum Deworming to Improve Infant Weight Gain in the Peruvian Amazon

Mofid, Layla S., Casapía, Martín, Aguilar, Eder, Silva, Hermánn, Montresor, Antonio, Rahme, Elham, Fraser, William D., Marquis, Grace S., Vercruysse, Jozef, Allen, Lindsay H., Blouin, Brittany, Razuri

Journal:

PLoS Neglected Tropical Diseases

Year:

2017

Language:

english

File:

PDF, 2.09 MB

english, 2017

42

Metagenomic Analysis of a Tropical Composting Operation at the São Paulo Zoo Park Reveals Diversity of Biomass Degradation Functions and Organisms

Martins, Layla Farage, Antunes, Luciana Principal, Pascon, Renata C., de Oliveira, Julio Cezar Franco, Digiampietri, Luciano A., Barbosa, Deibs, Peixoto, Bruno Malveira, Vallim, Marcelo A., Viana-Nier

Journal:

Year:

2013

Language:

english

File:

PDF, 818 KB

english, 2013

43

Genome-Centric Analysis of a Thermophilic and Cellulolytic Bacterial Consortium Derived from Composting

Lemos, Leandro N., Pereira, Roberta V., Quaggio, Ronaldo B., Martins, Layla F., Moura, Livia M. S., da Silva, Amanda R., Antunes, Luciana P., da Silva, Aline M., Setubal, João C.

Journal:

Frontiers in Microbiology

Year:

2017

Language:

english

File:

PDF, 2.47 MB

english, 2017

44

Analysis of the antimicrobial and anti-caries effects of TiF4 varnish under microcosm biofilm formed on enamel

Souza, Beatriz Martines de, Fernandes Neto, Constantino, Salomão, Priscila Maria Aranda, Vasconcelos, Layla Reginna Silva Munhoz de, Andrade, Flaviana Bombarda de, Magalhães, Ana Carolina

Journal:

Journal of Applied Oral Science

Year:

2018

Language:

english

File:

PDF, 680 KB

english, 2018

45

Evaluation of quality of life before and after videothoracoscopic simpathectomy for primary hyperhidrosis

Baroncello, João Batista, Baroncello, Layla Regina Zambenedetti, Schneider, Emílio Gabriel Ferro, Martins, Guilherme Garcia

Journal:

Revista do Colégio Brasileiro de Cirurgiões

Year:

2014

Language:

english

File:

PDF, 141 KB

english, 2014

46

Characterization of novel hydrocarbon-degrading Gordonia paraffinivorans and Gordonia sihwensis strains isolated from composting

Silva, Natalia Maria, de Oliveira, Aline Márcia Silva Araújo, Pegorin, Stefania, Giusti, Camila Escandura, Ferrari, Vitor Batista, Barbosa, Deibs, Martins, Layla Farage, Morais, Carlos, Setubal, João

Journal:

Year:

2019

Language:

english

File:

PDF, 1.30 MB

english, 2019

47

Overview of radiation induced point defects in silica-based optical fibers

Girard, Sylvain, Alessi, Antonino, Richard, Nicolas, Martin-Samos, Layla, De Michele, Vincenzo, Giacomazzi, Luigi, Agnello, Simonpietro, Francesca, Diego Di, Morana, Adriana, Winkler, Blaž, Reghioua,

Journal:

Reviews in Physics

Year:

2019

File:

PDF, 1.98 MB

2019

48

A 2-month exposure to dietary genistein has sex-dependent effects on serum profile, cardiac protein expression, and aortic morphology in mice

Al-Nakkash, Layla, Martin, Joshua, Cannon, Jennifer, Bhakta, Ashesh, Leung, Lana, Broderick, Tom

Journal:

Nutrition and Dietary Supplements

Year:

2014

Language:

english

File:

PDF, 494 KB

english, 2014

49

Educator and Student Hand Hygiene Adherence in Dental Schools: A Systematic Review and Meta-Analysis

Resende, Kemelly Karolliny Moreira, Neves, Layla Ferreira, Nagib, Leonardo de Rezende Costa, Martins, Lázara Joyce Oliveira, Costa, Cláudio Rodrigues Rezende

Journal:

Journal of dental education

Year:

2019

Language:

english

File:

PDF, 1.23 MB

english, 2019

50

First report of cis-1,4-polyisoprene degradation by Gordonia paraffinivorans

Braga, Stefania Pegorin, dos Santos, Alexandre Paes, Paganini, Thais, Barbosa, Deibs, Epamino, George Willian Condomitti, Morais, Carlos, Martins, Layla Farage, Silva, Aline Maria, Setubal, João Carlo

Journal:

Brazilian Journal of Microbiology

Year:

2019

Language:

english

File:

PDF, 1.07 MB

english, 2019

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