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Maria Natália Dias Soeiro Cordeiro

AuthID: R-000-CE0

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Confirmed Publications: 424

311

TITLE: Hydration Structure of Cocaine and its Metabolites: A Molecular Dynamics Study Full Text
AUTHORS: Rincon, DA; Jorge, M; Cordeiro, MNDS ; Mosquera, RA; Borges, F ;
PUBLISHED: 2011, SOURCE: JOURNAL OF SOLUTION CHEMISTRY, VOLUME: 40, ISSUE: 4

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312

TITLE: Jointly Handling Potency and Toxicity of Antimicrobial Peptidomimetics by Simple Rules from Desirability Theory and Chemoinformatics Full Text
AUTHORS: Cruz Monteagudo, M ; Borges, F ; Cordeiro, MNDS ;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 51, ISSUE: 12

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313

TITLE: Molecular Dynamics Simulations of Pregelification Mixtures for the Production of Imprinted Xerogels Full Text
AUTHORS: Manuel Azenha ; Borys Szefczyk ; Dianne Loureiro; Porkodi Kathirvel ; Natalia N D S Cordeiro ; Antonio Fernando Silva ;
PUBLISHED: 2011, SOURCE: LANGMUIR, VOLUME: 27, ISSUE: 8

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314

TITLE: Molecular Dynamics Study of Hydrated Poly(ethylene oxide) Chains Grafted on Siloxane Surface Full Text
AUTHORS: Zuzana Benkova ; Borys Szefczyk ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: MACROMOLECULES, VOLUME: 44, ISSUE: 9

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315

TITLE: Molecular Dynamics Study of Water Interacting with Siloxane Surface Modified by Poly(ethylene oxide) Chains
AUTHORS: Zuzana Benkova ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 115, ISSUE: 38

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316

TITLE: Multi-target drug discovery in anti-cancer therapy: Fragment-based approach toward the design of potent and versatile anti-prostate cancer agents Full Text
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 19, ISSUE: 21

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317

TITLE: On the theoretical understanding of the unexpected O-2 activation by nanoporous gold Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2011, SOURCE: CHEMICAL COMMUNICATIONS, VOLUME: 47, ISSUE: 29

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318

TITLE: Physical Properties at the Base for the Development of an All-Atom Force Field for Ethylene Glycol
AUTHORS: Borys Szefczyk ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 115, ISSUE: 12

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319

TITLE: Response to "Comment on 'Uncertainties in scaling factors for ab initio vibrational zero-point energies' and 'Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional'" [J. Chem. Phys. 134, 167101 (2011)] Full Text
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 134, ISSUE: 16

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320

TITLE: Solvation Free Energy Profile of the SCN- Ion across the Water-1,2-Dichloroethane Liquid/Liquid Interface. A Computer Simulation Study
AUTHORS: Maria Darvas; Miguel Jorge; Natalia N D S Cordeiro ; Pal Jedlovszky;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 115, ISSUE: 22

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