| TD-DFT absorption spectrum of (poly) threonine in water: A study combining molecular dynamics and quantum mechanics calculations K Mendanha, RC Prado, LBA Oliveira, G Colherinhas Chemical Physics Letters 779, 138876, 2021 | 5 | 2021 |
| Molecular dynamic simulations, GIAO‐NMR and TD‐DFT spectroscopy analyze for zwitterionic isoleucine (ILE)N, 1 ≤ N ≤ 6, in water solution K Mendanha, RC Prado, LBA Oliveira, G Colherinhas Journal of Computational Chemistry 42 (5), 344-357, 2021 | 5 | 2021 |
| Modeling, energetic and structural analysis of peptide membranes formed by arginine and phenylalanine (R2F4R2) using fully atomistic molecular dynamics K Mendanha, LBA Oliveira, G Colherinhas Journal of Molecular Liquids 367, 120498, 2022 | 1 | 2022 |
| Employing Molecular Dynamics Simulations and Dftcalculations to Elucidate the Energetic, Structural, and Spectroscopic Attributes of (Poly) Valines in Water Solution RC Prado, K Mendanha, LBA Oliveira, G Colherinhas Structural, and Spectroscopic Attributes of (Poly) Valines in Water Solution, 0 | | |
