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List of works by Osmar Norberto de Souza

A network flow approach to predict protein targets and flavonoid backbones to treat respiratory syncytial virus infection.

scientific article

An Effective Approach for Clustering InhA Molecular Dynamics Trajectory Using Substrate-Binding Cavity Features

scientific article

Clustering molecular dynamics trajectories for optimizing docking experiments.

scientific article published on 22 March 2015

DNA structure, hydration and dynamics.

scientific article published on November 1994

Design of novel potent inhibitors of human uridine phosphorylase-1: synthesis, inhibition studies, thermodynamics, and in vitro influence on 5-fluorouracil cytotoxicity

scientific article published on 31 October 2013

Discovery of new inhibitors of Mycobacterium tuberculosis InhA enzyme using virtual screening and a 3D-pharmacophore-based approach.

scientific article

EPSP synthase flexibility is determinant to its function: computational molecular dynamics and metadynamics studies.

scientific article published on 7 June 2017

Effect of warmup protocol and sampling time on convergence of molecular dynamics simulations of a DNA dodecamer using AMBER 4.1 and particle-mesh Ewald method

scientific article published on 01 April 1997

Mining flexible-receptor docking experiments to select promising protein receptor snapshots ⬇️

scientific article published on December 22, 2010

Mining the Protein Data Bank with CReF to predict approximate 3-D structures of polypeptides

scientific article published on January 1, 2010

Molecular dynamics simulations of a protein-protein dimer: particle-mesh Ewald electrostatic model yields far superior results to standard cutoff model

scientific article published on 01 June 1999

The importance of the quaternary structure to represent conformational ensembles of the major Mycobacterium tuberculosis drug target

scientific article published on 23 September 2019

The intrinsic curvature of a 51 bp K-DNA fragment of Leishmania tarentolae: a molecular model.

scientific article published in April 1998

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