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Application of Artificial Neural Networks to the design and optimization of superhydrophobic coatings
(2021-05-19)
Recently, considerable attention has been devoted to developing superhydrophobic surfaces due to their advantageous antimicrobial and self-cleaning properties. While significant effort has been devoted to their fabrication, ...
High-throughput virtual screening by molecular dynamics assisted molecular docking.
(2022-04-29)
Molecular docking is a widely used Structure-Based method for drug discovery. Over the years,
molecular docking methodologies have evolved to address several limitations, such as high errors in
predicting pose and binding ...
Computational design of new antimicrobial peptides
(2018-04-13)
Antimicrobial peptides (AMP) are evolutionarily conserved components of the
innate immune system. They have a broad spectrum of action against bacteria,
fungi and viruses. Therefore, AMP are studied as probable substitutes ...



