Thereza A. Soares
Current affiliation: Federal University of Pernambuco (UFPE)
Subject: Chemistry
Primary location: Brazil
Probing deep into the interaction of a fluorescent chalcone derivative and bovine serum albumin (BSA): an experimental and computational study
Published in:Organic & Biomolecular Chemistry
Publication date:2013-01-01
Electrostatics and flexibility drive membrane recognition and early penetration by the antimicrobial peptide dendrimer bH1
Published in:Chemical Communications
Publication date:2013-01-01
Hydration, ionic valence and cross-linking propensities of cations determine the stability of lipopolysaccharide (LPS) membranes
Published in:Chemical Communications
Publication date:2014-01-01
Editorial
Published in:Journal of the Brazilian Chemical Society
Publication date:2008-01-01
Mulheres em ciência e tecnologia: ascensão limitada
Published in:Química Nova
Publication date:2001-04-01
Molecular dynamics studies of alanine racemase: A structural model for drug design
Published in:Biopolymers
Publication date:2003-09-24
Validation of the 53A6 GROMOS force field
Published in:European Biophysics Journal
Publication date:2005-04-01
Molecular Dynamics of Organophosphorous Hydrolases Bound to the Nerve Agent Soman
Published in:Journal of Chemical Theory and Computation
Publication date:2007-07-01
Aplicação da equação de Poisson-Boltzmann ao cálculo de propriedades dependentes do pH em proteínas
Published in:Química Nova
Publication date:2004-08-01
Enzyme specific activity in functionalized nanoporous supports
Published in:Nanotechnology
Publication date:2008-02-20
Investigations on human immunodeficiency virus type 1 integrase/DNA binding interactions via molecular dynamics and electrostatics calculations
Published in:Pharmacology & Therapeutics
Publication date:2000-03-01
Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: The MEMPOT algorithm implemented in DelPhi
Published in:Journal of Computational Chemistry
Publication date:2014-05-06
Outer Membrane Remodeling: The Structural Dynamics and Electrostatics of Rough Lipopolysaccharide Chemotypes
Published in:Journal of Chemical Theory and Computation
Publication date:2014-06-10
Alpha- and beta-polypeptides show a different stability of helical secondary structure
Published in:Tetrahedron
Publication date:2004-08-01
The Effect of Temperature, Cations, and Number of Acyl Chains on the Lamellar to Non-Lamellar Transition in Lipid-A Membranes: A Microscopic View
Published in:Journal of Chemical Theory and Computation
Publication date:2012-10-09
Cytotoxicity and slow release of the anti-cancer drug doxorubicin from ZIF-8
Published in:RSC Advances
Publication date:2012-01-01
A Glycam-Based Force Field for Simulations of Lipopolysaccharide Membranes: Parametrization and Validation
Published in:Journal of Chemical Theory and Computation
Publication date:2012-11-13
Molecular basis of the structural stability of a Top7-based scaffold at extreme pH and temperature conditions
Published in:Journal of Molecular Graphics and Modelling
Publication date:2010-06-01
Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase
Published in:Advances in Bioinformatics and Computational Biology
Publication date:Not available
The Role of Nonbonded Interactions in the Conformational Dynamics of Organophosphorous Hydrolase Adsorbed onto Functionalized Mesoporous Silica Sur...
Published in:The Journal of Physical Chemistry B
Publication date:2010-01-14
Conformational Variability of Organophosphorus Hydrolase upon Soman and Paraoxon Binding
Published in:The Journal of Physical Chemistry B
Publication date:2011-12-29
De novo design of immunoreactive conformation-specific HIV-1 epitopes based on Top7 scaffold
Published in:RSC Advances
Publication date:2013-01-01
Influence of the B-band O-antigen chain in the structure and electrostatics of the lipopolysaccharide membrane of Pseudomonas aeruginosa
Published in:Journal of the Brazilian Chemical Society
Publication date:2008-01-01
Phospholamban Modulates the Functional Coupling between Nucleotide Domains in Ca-ATPase Oligomeric Complexes in Cardiac Sarcoplasmic Reticulum†
Published in:Biochemistry
Publication date:2009-03-24
An improved nucleic acid parameter set for the GROMOS force field
Published in:Journal of Computational Chemistry
Publication date:2005-03-15Improved Nucleic Acid Parameter Set
Metal organic frameworks for drug delivery and environmental remediation: A molecular docking approach
Published in:International Journal of Quantum Chemistry
Publication date:2012-06-08
The enzyme 3-hydroxykynurenine transaminase as potential target for 1,2,4-oxadiazoles with larvicide activity against the dengue vector Aedes aegypti
Published in:Bioorganic & Medicinal Chemistry
Publication date:2013-11-01
Two isoreticular metal–organic frameworks with CdSO4-like topology: selective gas sorption and drug delivery
Published in:Dalton Transactions
Publication date:2014-01-01
A combined experimental and computational study of novel nanocage-based metal–organic frameworks for drug delivery
Published in:Dalton Transactions
Publication date:2015-01-01