2019

MolAr Installation

Installation of MolAr software for computer Aided Drug Design Experiments

By: Eduardo Amaral

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2017

Draw Structures

Inverse virtual screening Part 1: Preparing ligands using run.mopac.

By: Alex Taranto

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Run mopac ok

Inverse virtual screening Part 2: Preparing ligands using run.mopac

By: Alex Taranto

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Octopus: Virtual High Throughput Screening Platform for Multi-Compounds and Targets

Maia EHB, Campos VA, Santos BR, Costa MS, Lima IG, Greco SJ, Ribeiro RIMA, Munayer FM, da Silva AM, Taranto AG. J. Mol. Model. 2016, no prelo.

By: Alex Taranto

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Run mopac wrong

Inverse virtual screening Part 3: checking the ligand structures using run.mopac

By: Alex Taranto

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