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Thereza A. Soares

Professor Titular

University of Sao Paulo

Brazil

Research Interests

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Professors in Pharmaceutical Chemistry

Articles (24)

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2021

Collaborators (14)

Ana Paula Ramos

Full Professor

University of Sao Paulo

BRAZIL

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Henrique Musseli Cezar

Researcher

University of Oslo

NORWAY

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Rosangela Itri

University of Sao Paulo

BRAZIL

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Sylvio May

North Dakota State University

UNITED STATES

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Michele Cascella

Principal Investigator

University of Oslo

NORWAY

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Andre Silva Pimentel

Professor Associado

Pontifical Catholic University of Rio de Janeiro

BRAZIL

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John Kitchin

Professor

Carnegie Mellon University

UNITED STATES

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Tristan Bereau

Prof. at Heidelberg University

Heidelberg University

GERMANY

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Zoe Cournia

Director of Research (Professor level)

Biomedical Research Foundation of the Academy of Athens

GREECE

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Ariane Nunes-Alves

Lead Researcher

Brazilian Center for Research in Energy and Materials

BRAZIL

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Olexandr Isayev

Carl and Amy Jones Professor of Chemistry

Carnegie Mellon University

UNITED STATES

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Guo-Wei Wei

Michigan State University

UNITED STATES

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Madeleine Ramstedt

Professor

Umea University

SWEDEN

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Kevin Naidoo

Professor

University of Cape Town

SOUTH AFRICA

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Thereza A. Soares

Research Interests

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Articles (24)

Exploring the Interactions Between Methyl Methacrylate Polymers and the Bacterial Outer Membrane via Coarse-Grained Molecular Dynamics Simulations

Acidic pH Modulates Headgroup Orientation and Packing in Bis(monoacylglycero)phosphate Bilayers

Application Notes in JCIM: A Home for Data, Software, and Web-Based Services in Cheminformatics and Molecular Modeling

A Numerical Implementation to Calculate Elastic Properties of Biological Membrane Simulations

Mapping the Molecular Universe: Exploring Chemical Compound Space by Multiscale High-Throughput Screening and Machine Learning

SuAVE-Scatter: A Module for Integrating Simulations and SAXS/SANS Analyses

The many dimeric faces of Lys49 PLA2‐like proteins: Conformational plasticity and membrane binding drive functional dimer states

Beyond Summary: Reviews That Shape the Field of Computational Molecular Sciences

Role of oscillatory solvent-mediated interactions for the differential capacitance of an electric double layer

Coarse-Grained Parameters for Simulations of Methyl-Methacrylate-Based Polymer Brushes That Reproduce Experimental Swelling Coefficients

Reflections on the 65 Years of the Journal of Chemical Information and Modeling: Scientific Impact, Community, and the Evolution of Computational Molecular Science

The Effect of Ceramide Ratio on the Membrane Curvature of Mimetic Models of Matrix Vesicles

Computational Chemistry in the Global South: A Latin American Perspective

Accelerating Lipid Flip-Flop at Low Concentrations: A General Mechanism for Membrane Binding Peptides

Inhibition of 3-Hydroxykynurenine Transaminase from Aedes aegypti and Anopheles gambiae: A Mosquito-Specific Target to Combat the Transmission of Arboviruses

Celebrating Diversity, Equity, Inclusion, and Respect in Computational and Theoretical Chemistry

Bias Amplification in Gender, Gender Identity, and Geographical Affiliation

The Effect of Surface Composition on the Selective Capture of Atmospheric CO2 by ZIF Nanoparticles: The Case of ZIF-8

The (Re)-Evolution of Quantitative Structure–Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods

Computational Chemistry in Asia

Surface Assessment via Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape

Advancing Women in Chemistry

Computational Chemistry in Asia

A second generation of 1,2,4-oxadiazole derivatives with enhanced solubility for inhibition of 3-hydroxykynurenine transaminase (HKT) from Aedes aegypti

Collaborators (14)

Ana Paula Ramos

Henrique Musseli Cezar

Rosangela Itri

Sylvio May

Michele Cascella

Andre Silva Pimentel

John Kitchin

Tristan Bereau

Zoe Cournia

Ariane Nunes-Alves

Olexandr Isayev

Guo-Wei Wei

Madeleine Ramstedt

Kevin Naidoo

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