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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 -
COMPUTATIONAL PLANNING OF ALLOSTERIC INHIBITORS OF FALCIPAIN-2 P. falciparum ENZYME
Vol 1, 2023 -164866 -
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 -
MAPPING AND CHARACTERIZING ALLOSTERIC SITES OF TRYPANOTHIONE REDUCTASE OF TRYPANOSOMA CRUZI BY COMPUTATIONAL TECHNIQUES
Vol 1, 2023 -164695
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-2026
Structural Insights into the Midnolin Protein: A Molecular Dynamics Approach
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SBBf-2026
REACTIVITY PROFILE OF ENZYMES APPLYING QUANTUM MECHANICS CALCULATIONS OVER MICROSSECONDS MOLECULAR DYNAMICS SIMULATIONS AND ANALYSING KEY RESIDUES INFLUENCE THROUGH TIME
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SBBf-2026
STRUCTURAL, DYNAMIC, AND ELECTRONIC INVESTIGATION OF THE BIOMINERALIZATION OF CALCIUM CARBONATE AGGREGATES IN A PROTEIN MATRIX
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