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For: Colherinhas G. Update of CHARMM36's atomic charges for aromatic amino acids in water solution simulations and spectroscopy analysis via sequential molecular dynamics and DFT calculations. Journal of Molecular Liquids 2021;321:114739. [DOI: 10.1016/j.molliq.2020.114739] [Cited by in Crossref: 7] [Cited by in F6Publishing: 9] [Article Influence: 7.0] [Reference Citation Analysis]
Number Citing Articles
1 Mendanha K, Bruno Assis Oliveira L, Colherinhas G. Modeling, energetic and structural analysis of peptide membranes formed by arginine and phenylalanine (R2F4R2) using fully atomistic molecular dynamics. Journal of Molecular Liquids 2022;367:120498. [DOI: 10.1016/j.molliq.2022.120498] [Reference Citation Analysis]
2 Giulia Bordoni P, Colherinhas G. On the influence of increasing the concentration of Au144(SRCOO1-)60 nanoparticles in water/Na1+ solution using molecular dynamics simulations. Journal of Molecular Liquids 2022. [DOI: 10.1016/j.molliq.2022.120776] [Reference Citation Analysis]
3 de Almeida AR, de Andrade DX, Colherinhas G. Statistical and energetic analysis of hydrogen bonds in short and long peptide nanotapes/nanofibers using molecular dynamics simulations. Journal of Molecular Liquids 2022;359:119308. [DOI: 10.1016/j.molliq.2022.119308] [Cited by in Crossref: 1] [Cited by in F6Publishing: 2] [Article Influence: 1.0] [Reference Citation Analysis]
4 Domingos Alves E, de Andrade DX, de Almeida AR, Colherinhas G. Molecular dynamics study of hydrogen bond in peptide membrane at 150–300 K. Journal of Molecular Liquids 2022;349:118165. [DOI: 10.1016/j.molliq.2021.118165] [Cited by in Crossref: 1] [Cited by in F6Publishing: 2] [Article Influence: 1.0] [Reference Citation Analysis]
5 Cardoso WB, Colherinhas G. Fullerene C60 spectroscopy in [BMIM][PF6] ionic liquid: Molecular dynamics study using polarization effects. Journal of Molecular Structure 2022;1250:131887. [DOI: 10.1016/j.molstruc.2021.131887] [Reference Citation Analysis]
6 de Andrade DX, Alves ED, de Almeida AR, Colherinhas G. Laminar peptide structure: Energetic and structural evaluation using molecular dynamics. Journal of Molecular Liquids 2021;341:117261. [DOI: 10.1016/j.molliq.2021.117261] [Reference Citation Analysis]
7 Oliveira LB, Cardoso WB, Colherinhas G. Hydroxylic, sulfur-containing and amidic amino acids in water solution: Atomic charges parameters for computational modeling using molecular dynamics simulation and DFT calculations. Journal of Molecular Liquids 2021;339:116815. [DOI: 10.1016/j.molliq.2021.116815] [Cited by in Crossref: 2] [Cited by in F6Publishing: 2] [Article Influence: 2.0] [Reference Citation Analysis]
8 Mendanha K, Prado RC, Oliveira LB, Colherinhas G. TD-DFT absorption spectrum of (poly)threonine in water: A study combining molecular dynamics and quantum mechanics calculations. Chemical Physics Letters 2021;779:138876. [DOI: 10.1016/j.cplett.2021.138876] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
9 Colherinhas G. Updating atomic charge parameters of aliphatic amino acids: a quest to improve the performance of molecular modeling via sequential molecular dynamics and DFT-GIAO-NMR calculations. Phys Chem Chem Phys 2021;23:8413-25. [PMID: 33876005 DOI: 10.1039/d1cp00183c] [Cited by in Crossref: 6] [Cited by in F6Publishing: 8] [Article Influence: 6.0] [Reference Citation Analysis]