BALATTI, G. E.; MARTINI, M. F.; PICKHOLZ, M.

Investigating the Impact of the Glycolipid Content on Aurein 1.2 Pores in Prokaryotic Model Bilayers: A Coarse-Grain Molecular Dynamics Simulation Study

JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2023

GRILLO, DAMIÁN A.; ALBANO, JUAN M. R.; VALLADARES T., RUFINO E.; MOCSKOS, ESTEBAN E.; FACELLI, JULIO C.; PICKHOLZ, MÓNICA; FERRARO, MARTA B.

Molecular dynamics study of the mechanical properties of drug loaded model systems: A comparison of a polymersome with a bilayer

JOURNAL OF CHEMICAL PHYSICS; Año: 2023 vol. 159

LEPLAND, ANNI; MALFANTI, ALESSIO; HALJASORG, UKU; ASCIUTTO, ELIANA K.; PICKHOLZ, MONICA; BRINGAS, MAURO; OREVI, SNEANA; SALUMÄE, LIIS; PETERSON, PÄRT; TEESALU, TAMBET; VICENT, MARÍA J.; SCODELLER, PABLO

Depletion of Mannose Receptor–Positive Tumor-associated Macrophages via a Peptide-targeted Star-shaped Polyglutamate Inhibits Breast Cancer Progression in Mice

Cancer Research Communications; Año: 2022 vol. 2 p. 533 - 551

LISCANO, YAMIL; MEDINA, LAURA; OÑATE-GARZÓN, JOSE; GÚZMAN, FANNY; PICKHOLZ, MONICA; DELGADO, JEAN PAUL

In silico selection and evaluation of pugnins with antibacterial and anticancer activity using skin transcriptome of treefrog (Boana pugnax)

Pharmaceutics; Año: 2021 vol. 13

APOSTOLOPOULOS, VASSO; BOJARSKA, JOANNA; CHAI, TSUN-THAI; ELNAGDY, SHERIF; KACZMAREK, KRZYSZTOF; MATSOUKAS, JOHN; NEW, ROGER; PARANG, KEYKAVOUS; LOPEZ, OCTAVIO PAREDES; PARHIZ, HAMIDEH; PERERA, CONRAD O.; PICKHOLZ, MONICA; REMKO, MILAN; SAVIANO, MICHELE; SKWARCZYNSKI, MARIUSZ; TANG, YEFENG; WOLF, WOJCIECH M.; YOSHIYA, TAKU; ZABROCKI, JANUSZ; ZIELENKIEWICZ, PIOTR; ALKHAZINDAR, MAHA; BARRIGA, VANESSA; KELAIDONIS, KONSTANTINOS; SARASIA, ELHAM MOUSAVINEZHAD; TOTH, ISTVAN

A Global Review on Short Peptides: Frontiers and Perspectives

MOLECULES; Año: 2021 vol. 26

PRATES, ÉRICA TEIXEIRA; RODRIGUES DA SILVA, GUSTAVO HENRIQUE; SOUZA, THAIS F.; SKAF, MUNIR S.; PICKHOLZ, MÓNICA; DE PAULA, ENEIDA

Articaine interaction with phospholipid bilayers

JOURNAL OF MOLECULAR STRUCTURE; Año: 2020 vol. 1222

BALATTI, GALO E.; DOMENE, CARMEN; MARTINI, M. FLORENCIA; PICKHOLZ, MONICA

Differential Stability of Aurein 1.2 Pores in Model Membranes of Two Probiotic Strains

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Lugar: Washington; Año: 2020 vol. 60 p. 5142 - 5152

ALBANO, JUAN M.R; RIBEIRO, LÍGIA NUNES DE MORAIS; COUTO, VERÔNICA MUNIZ; BARBOSA MESSIAS, MARIANA; RODRIGUES DA SILVA, GUSTAVO HENRIQUE; BREITKREITZ, MÁRCIA CRISTINA; DE PAULA, ENEIDA; PICKHOLZ, MONICA

Rational design of polymer-lipid nanoparticles for docetaxel delivery

COLLOIDS AND SURFACES B-BIOINTERFACES; Año: 2019 vol. 175 p. 56 - 64

ALBANO, JUAN M. R.; JARA, GABRIEL E.; FERNÁNDEZ, M. LAURA; FACELLI, JULIO C.; FERRARO, MARTA B.; PICKHOLZ, MONICA

The Effects of Calcium on Lipid–Protein Interactions and Ion Flux in the Cx26 Connexon Embedded into a POPC Bilayer

JOURNAL OF MEMBRANE BIOLOGY; Lugar: Berlin; Año: 2019 p. 1 - 14

WOOD, IRENE; FABIAN, LUCAS; MOGLIONI, ALBERTINA; CABEÇA, LUIS FERNANDO; DE PAULA, ENEIDA; PICKHOLZ, MÓNICA

Combining nuclear magnetic resonance with molecular dynamics simulations to address sumatriptan interaction with model membranes

CHEMISTRY AND PHYSICS OF LIPIDS; Año: 2019 vol. 225

SZYMANOWSKI, F.; BALATTI, G.E.; AMBROGGIO, E.; HUGO, A.A.; MARTINI, M.F.; FIDELIO, G.D.; GÓMEZ-ZAVAGLIA, A.; PICKHOLZ, M.; PÉREZ, P.F.

Differential activity of lytic α-helical peptides on lactobacilli and lactobacilli-derived liposomes

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES; Año: 2019 vol. 1861 p. 1069 - 1077

ALBANO, JUAN M. R.; FACELLI, JULIO C.; FERRARO, MARTA B.; PICKHOLZ, MONICA

Magnesium interactions with a CX26 connexon in lipid bilayers

JOURNAL OF MOLECULAR MODELING - (Print); Año: 2019 vol. 25 p. 232 - 232

ALBANO, JUAN M. R.; GRILLO, DAMIAN; FACELLI, JULIO C.; FERRARO, MARTA B.; PICKHOLZ, MÓNICA

Study of the Lamellar and Micellar Phases of Pluronic F127: A Molecular Dynamics Approach

Processes; Lugar: suiza; Año: 2019 vol. 7 p. 606 - 617

ALBANO, JUAN M.R.; MUSSINI, NAHUEL; TORIANO, ROXANA; FACELLI, JULIO C.; FERRARO, MARTA B.; PICKHOLZ, MÓNICA

Calcium interactions with Cx26 hemmichannel: Spatial association between MD simulations biding sites and variant pathogenicity

COMPUTATIONAL BIOLOGY AND CHEMISTRY; Año: 2018 vol. 77 p. 331 - 342

FRIEDMAN, RAN; KHALID, SYMA; APONTE-SANTAMARÍA, CAMILO; ARUTYUNOVA, ELENA; BECKER, MARLON; BOYD, KEVIN J.; CHRISTENSEN, MIKKEL; COIMBRA, JOÃO T. S.; CONCILIO, SIMONA; DADAY, CSABA; VAN EERDEN, FLORIS J.; FERNANDES, PEDRO A.; GRÄTER, FRAUKE; HAKOBYAN, DAVIT; HEUER, ANDREAS; KARATHANOU, KONSTANTINA; KELLER, FABIAN; LEMIEUX, M. JOANNE; MARRINK, SIEWERT J.; MAY, ERIC R.; MAZUMDAR, ANTARA; NAFTALIN, RICHARD; PICKHOLZ, MÓNICA; PIOTTO, STEFANO; POHL, PETER; QUINN, PETER; RAMOS, MARIA J.; SCHIØTT, BIRGIT; SENGUPTA, DURBA; SESSA, LUCIA; VANNI, STEFANO; ZEPPELIN, TALIA; ZONI, VALERIA; BONDAR, ANA-NICOLETA; DOMENE, CARMEN

Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology

JOURNAL OF MEMBRANE BIOLOGY; Año: 2018 vol. 251 p. 609 - 631

WOOD, IRENE; ALBANO, JUAN M. R.; FILHO, PEDRO L. O.; COUTO, VERONICA MUNIZ; DE FARIAS, MARCELO A.; PORTUGAL, RODRIGO V.; DE PAULA, ENEIDA; OLIVEIRA, CRISTIANO L. P.; PICKHOLZ, MONICA

A sumatriptan coarse-grained model to explore different environments: interplay with experimental techniques

EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS; Lugar: Berlin; Año: 2018 p. 1 - 11

GRILLO, DAMIÁN A.; ALBANO, JUAN M. R.; MOCSKOS, ESTEBAN E.; FACELLI, JULIO C.; PICKHOLZ, MÓNICA; FERRARO, MARTA B.

Mechanical properties of drug loaded diblock copolymer bilayers: A molecular dynamics study

JOURNAL OF CHEMICAL PHYSICS; Año: 2018 vol. 148 p. 1 - 9

CARUSO, BENJAMÍN; MARTINI, M. FLORENCIA; PICKHOLZ, MÓNICA; PERILLO, MARÍA A.

V-Shaped Molecular Configuration of Wax Esters of Jojoba Oil in a Langmuir Film Model

LANGMUIR; Año: 2018 vol. 34 p. 7887 - 7898

BALATTI, G. E.; MARTINI, M. F.; PICKHOLZ, M.

A coarse-grained approach to studying the interactions of the antimicrobial peptides aurein 1.2 and maculatin 1.1 with POPG/POPE lipid mixtures

JOURNAL OF MOLECULAR MODELING - (Print); Año: 2018 vol. 24 p. 1 - 9

GRILLO, DAMIÁN A.; ALBANO, JUAN M. R.; MOCSKOS, ESTEBAN E.; FACELLI, JULIO C.; PICKHOLZ, MÓNICA; FERRARO, MARTA B.

Diblock copolymer bilayers as model for polymersomes: A coarse grain approach

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2017 vol. 146 p. 1 - 8

BALATTI, GALO; AMBROGGIO, ERNESTO; FIDELIO, GERARDO; MARTINI, M. FLORENCIA; PICKHOLZ, MÓNICA

Differential Interaction of Antimicrobial Peptides with Lipid Structures Studied by Coarse-Grained Molecular Dynamics Simulations

MOLECULES; Año: 2017 vol. 22

I. WOOD; M.F. MARTINI; J.M.R. ALBANO; M.L. CUESTAS; V.L. MATHET; M. PICKHOLZ

Coarse grained study of pluronic F127: Comparison with shorter co-polymers in its interaction with lipid bilayers and selfaggregation in water

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2016 vol. 119 p. 27 - 36

MA BRAGA; M.F. MARTINI; M. PICKHOLZ; YOKAICHIYA F; FRANCO M.K.D; L. F. CABECA; SILVA C.M.G.; LIMIA C.E.G; E. DE PAULA

Clonidine complexation with hydroxypropylbeta- cyclodextrin: From physico-chemical characterization to in vivo adjuvant effect in local anesthesia

JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS; Lugar: Amsterdam; Año: 2016

MARTINI, M. FLORENCIA; GLISONI, ROMINA J.; SOSNIK, ALEJANDRO; MOGLIONI, ALBERTINA; PICKHOLZ, MÓNICA

Insights on self-aggregation phenomena of 1-indanone thiosemicarbazones and the formation of inclusion complexes with hydroxypropyl-β-cyclodextrin by Molecular Dynamics simulations

JOURNAL OF MOLECULAR LIQUIDS; Año: 2016 vol. 222 p. 963 - 971

WOOD, IRENE; PICKHOLZ, MÓNICA

Naratriptan aggregation in lipid bilayers: perspectives from molecular dynamics simulations

JOURNAL OF MOLECULAR MODELING - (Print); Año: 2016 vol. 22

I. WOOD; M. PICKHOLZ

Triptan partition in model membranes

JOURNAL OF MOLECULAR MODELING - (Print); Lugar: New York; Año: 2014 vol. 20 p. 1 - 8

G. GIUPPONI; M.F. MARTINI; M. PICKHOLZ

Molecular Dynamics Study on the Encapsulation of Prilocaine in Liposomes at Physiological pH

JOURNAL OF BIOMATERIALS AND TISSUE ENGINEERING; Lugar: Strasbourg; Año: 2013 vol. 3 p. 141 - 147

I. WOOD; M. PICKHOLZ

Concentration effects of sumatriptan on the properties of model membranes by molecular dynamics simulations

EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS; Lugar: Berlin; Año: 2013 vol. 42 p. 833 - 841

I.WOOD; M.F. MARTINI; M. PICKHOLZ

SIMILARITIES AND DIFFERENCES OF SEROTONIN AND ITS PRECURSORS IN THEIR INTERACTIONS WITH MODEL MEMBRANES STUDIED BY MOLECULAR DYNAMICS SIMULATION

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2013 vol. 1045 p. 124 - 130

MARCELO BISPO DE JESUS; LEONARDO FERNANDES FRACETO; MARIA FLORENCIA MARTINI; MONICA PICKHOLZ; CARMEN VERÍSSIMA FERREIRA; ENEIDA DE PAULA

Non-inclusion complexes between riboflavin and cyclodextrins

JOURNAL OF PHARMACY AND PHARMACOLOGY; Año: 2012 vol. 64 p. 832 - 842

M.F. MARTINI; E. A. DISALVO; M PICKHOLZ

Nicotinamide and Picolinamide in Phospholipid Monolayers

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Lugar: New York; Año: 2012 vol. 112 p. 3289 - 3295

M.F. MARTINI; M. PICKHOLZ

Molecular Dynamics Study of Uncharged Bupivacaine Enantiomers in Phospholipid Bilayers

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Lugar: New York; Año: 2012 vol. 112 p. 2241 - 2246

E. T. PRATES; P. C. T. SOUZA; M. PICKHOLZ; M.S. SKAF

Charmm-Based Parameterization of Neutral Articaine—A Widely Used Local

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Año: 2011 vol. 111 p. 1339 - 1345

M. PICKHOLZ; G. GIUPPONI

Coarse grained simulations of local anesthetics encapsulated into a liposome.

JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Lugar: Washington; Año: 2010 vol. 114 p. 7009 - 7015

L. F. CABECA; M. PICKHOLZ; E. DE PAULA; A.J MARSAIOLI

Liposome-Prilocaine Interaction Mapping Evaluated through STD NMR and Molecular Dynamics Simulations

JOURNAL OF PHYSICAL CHEMISTRY B; Lugar: Washington; Año: 2009 vol. 113 p. 2365 - 2370

M. PICKHOLZ; L. F. FRACETO; E. DE PAULA

Preferential location of prilocaine and etidocaine in phospholipid bilayers: A molecular dynamics study

SYNTHETIC METALS; Año: 2009 vol. 159 p. 2157 - 2158

M. PICKHOLZ; L. F. FRACETO; E. DE PAULA

Distribution of Neutral Prilocaine in a Phospholipid Bilayer: Insights From Molecular Dynamics Simulations

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Año: 2008 vol. 108 p. 2386 - 2391

M. PICKHOLZ; O.N. OLIVEIRA; M.S. SKAF

Interactions of chlorpromazine with phospholipid monolayers: Effects of the ionization state of the drug

BIOPHYSICAL CHEMISTRY; Lugar: AMSTERDAM, NETHERLANDS ; Año: 2007 vol. 125 p. 425 - 434

M. PICKHOLZ; O.N. OLIVEIRA; M.S. SKAF

Molecular dynamics simulations of neutral chlorpromazine in zwitterionic phospholipid monolayers

JOURNAL OF PHYSICAL CHEMISTRY B; Lugar: WASHINGTON, DC ; Año: 2006 vol. 110 p. 8804 - 8814

M. PICKHOLZ; L. SAIZ; M. L. KLEIN

Concentration effects of volatile anesthetics on the properties of model membranes: A coarse-grain approach

BIOPHYSICAL JOURNAL; Lugar: BETHESDA, MD ; Año: 2005 vol. 88 p. 1524 - 1534

M. PICKHOLZ; M.C. DOS SANTOS

Theoretical investigation on pi-dimer formation in oligothiophenes

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: AMSTERDAM, NETHERLANDS ; Año: 2005 vol. 717 p. 99 - 106

M.C. DOS SANTOS; M. PICKHOLZ

The electronic structure of oligothiophenes

JOURNAL OF NON-CRYSTALLINE SOLIDS; Lugar: AMSTERDAM, NETHERLANDS ; Año: 2004 vol. 338 p. 586 - 589

R. FRIEDLEIN; X. CRISPIN; C. SUESS; M. PICKHOLZ; W.R. SALANECK

The role of intermolecular polarization for the stability of lithium intercalation compounds of alpha- and beta-perylene

JOURNAL OF CHEMICAL PHYSICS; Lugar: Melville; Año: 2004 vol. 121 p. 2239 - 2245

R. FRIEDLEIN; X. CRISPIN; M. PICKHOLZ; M. KEIL; S. STAFSTROM; W.R. SALANECK

High intercalation levels in lithium perylene stoichiometric compounds

CHEMICAL PHYSICS LETTERS; Lugar: AMSTERDAM, NETHERLANDS ; Año: 2002 vol. 354 p. 389 - 394

M. PICKHOLZ; S. STAFSTROM

Theoretical study of phenylene ethynylene macromolecules

SYNTHETIC METALS; Lugar: LAUSANNE, SWITZERLAND ; Año: 2001 vol. 121 p. 1271 - 1272

M. PICKHOLZ; S. STAFSTROM

Theoretical investigation of the role of pi-pi interactions for the stability of phenylene ethynylene aggregates

CHEMICAL PHYSICS; Lugar: LAUSSANE; Año: 2001 vol. 270 p. 245 - 251

M. PICKHOLZ; M.C. DOS SANTOS

Interchain and correlation effects in oligothiophenes

SYNTHETIC METALS; Lugar: LAUSANNE, SWITZERLAND ; Año: 1999 vol. 101 p. 528 - 529

M. PICKHOLZ; M.C. DOS SANTOS

AM1/CI study of a molecular rectifier

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: AMSTERDAM, NETHERLANDS ; Año: 1998 vol. 432 p. 89 - 96

S. SOUTO; M. PICKHOLZ; M.C. DOS SANTOS; F. ALVAREZ

Electronic structure of nitrogen-carbon alloys (a-CNx) determined by photoelectron spectroscopy

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Lugar: COLLEGE PK, MD; Año: 1998 vol. 57 p. 2536 - 2540

M.A. PICKHOLZ; M.C. DOS SANTOS

The molecular rectifier revisited

SYNTHETIC METALS; Lugar: LAUSANNE, SWITZERLAND ; Año: 1997 vol. 85 p. 1775 - 1776

M. PICKHOLZ; Z. GAMBA

Lennard-Jones potential model for the condensed phases of C-70

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Lugar: COLLEGE PK, MD ; Año: 1996 vol. 53 p. 2159 - 2162

M. PICKHOLZ; Z. GAMBA

TEST OF A SIMPLE-MODEL OF THE INTERMOLECULAR POTENTIAL FOR THE CONDENSED PHASES OF C-70

JOURNAL OF CHEMICAL PHYSICS; Lugar: WOODBURY, NY ; Año: 1994 vol. 100 p. 4531 - 4536