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Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 2001, Vol.63 (2 Pt 1), p.020901-020901, Article 020901

2001

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Molecular dynamics study of biomembrane/local anesthetics interactions

Molecular physics, 2009-07, Vol.107 (14), p.1437-1443

2009

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Non-competitive inhibitor of nucleoside hydrolase from Leishmania donovani identified by fragment-based drug discoveryElectronic supplementary information (ESI) available. See DOI: 10.1039/c6ra15143d

2016-09

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G Protein-Coupled Receptors

Revista Virtual de Química, 2013-09, Vol.5 (5)

2013

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Molecular dynamics simulation of alpha-melanocyte stimulating hormone in a water-membrane model interface

European biophysics journal, 1999-01, Vol.28 (6), p.499-509

1999

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Molecular dynamics simulations applied to the study of subtypes of HIV-1 protease common to Brazil, Africa, and Asia

Cell biochemistry and biophysics, 2006-01, Vol.44 (3), p.395-404

2006

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A three-dimensional structure of Plasmodium falciparum serine hydroxymethyltransferase in complex with glycine and 5-formyl-tetrahydrofolate. Homology modeling and molecular dynamics

Biophysical chemistry, 2005-05, Vol.115 (1), p.1-10

2005

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Water solvent and local anesthetics: A computational study

International journal of quantum chemistry, 2007, Vol.107 (7), p.1642-1649

2007

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Molecular Modeling and Dynamics of the Sodium Channel Inactivation Gate

Biophysical journal, 2002-03, Vol.82 (3), p.1207-1215

2002

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Nonspecific interaction forces at water-membrane interface by forced molecular dynamics simulations

Journal of computational chemistry, 2003-02, Vol.24 (3), p.328-339

2003

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Molecular dynamics simulations of the free and inhibitor-bound cruzain systems in aqueous solvent: insights on the inhibition mechanism in acidic pH

Non-competitive inhibitor of nucleoside hydrolase from Leishmania donovani identified by fragment-based drug discovery

New Stochastic Strategy to Analyze Helix Folding

Classical and quantum conformational analysis using Generalized Genetic Algorithm

Stochastic molecular optimization using generalized simulated annealing

Dissecting a novel allosteric mechanism of cruzain: A computer-aided approach

Stochastic strategy to analyze protein folding

Density functional and molecular dynamics simulations of local anesthetics in 0.9% NaCl solution

Identification of (4-(9H-fluoren-9-yl) piperazin-1-yl) methanone derivatives as falcipain 2 inhibitors active against Plasmodium falciparum cultures

Theoretical studies on water-tetracaine interaction

Self-similarity and protein compactness

Self-affine analysis of protein energy

EPR study of melanin-protein interaction: Photoinduced free radicals and progressive microwave power saturation

Molecular dynamics at a cytoplasm/membrane interface of a signal sequence from an E. coli maltoporin

Structural analysis of Pla protein from the biological warfare agent Yersinia pestis: docking and molecular dynamics of interactions with the mammalian plasminogen system

Multifractality, Levinthal paradox, and energy hypersurface

Molecular dynamics study of biomembrane/local anesthetics interactions

Non-competitive inhibitor of nucleoside hydrolase from Leishmania donovani identified by fragment-based drug discoveryElectronic supplementary information (ESI) available. See DOI: 10.1039/c6ra15143d

G Protein-Coupled Receptors

Molecular dynamics simulation of alpha-melanocyte stimulating hormone in a water-membrane model interface

Molecular dynamics simulations applied to the study of subtypes of HIV-1 protease common to Brazil, Africa, and Asia

A three-dimensional structure of Plasmodium falciparum serine hydroxymethyltransferase in complex with glycine and 5-formyl-tetrahydrofolate. Homology modeling and molecular dynamics

Water solvent and local anesthetics: A computational study

Molecular Modeling and Dynamics of the Sodium Channel Inactivation Gate

Nonspecific interaction forces at water-membrane interface by forced molecular dynamics simulations

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