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Classical and quantum mechanical methods to find specific allosteric inhibitors for papain-like cysteine proteases of Plasmodium falciparum and Plasmodium vivax
Vol 1, 2023 -164774 -
CORRELATION BETWEEN INTERMOLECULAR INTERACTION ENERGY AND ELECTRONIC ORBITAL SHARING IN BIOMOLECULAR COMPLEXES
Vol 1, 2023 -164321 -
IDENTIFICATION OF POTENTIAL ENZYME INHIBITOR BY MOLECULAR FRONTIER ORBITALS ANALYSIS ON PROTEIN-LIGAND COMPLEX
Vol 1, 2023 -164367
Publicações em outros proceedings
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SBBf-2026
THEORETICAL INSIGHTS INTO THE RELATIONSHIP BETWEEN ELECTRONIC STRUCTURE AND SIGNALING IN ANTIBODY-ANTIGEN SYSTEMS
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SBBf-2026
ELECTRONIC STRUCTURE CHARACTERIZATION OF PEPTIDE POLYMERS AND ANTIBODY-ANTIGEN COMPLEX.
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SBBf-2025
ELECTRONIC DISLOCATION IN PROTEINS: CHARACTERIZATION OF ELECTRONIC STRUCTURE AT ENZYMATIC REACTION SITES
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