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B

Behjatmanesh-Ardakani, R. and Pourroustaei-Ardakani, F. and Taghdiri, M. and Kotena, Z.M. (2016) DFT-B3LYP study of interactions between host biphenyl-1-aza-18-crown-6 ether derivatives and guest Cd2+: NBO, NEDA, and QTAIM analyses. Journal of Molecular Modeling, 22 (7). ISSN 1610-2940, DOI https://doi.org/10.1007/s00894-016-3012-2.

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Kotena, Zahrabatoul Mosapour and Razi, Mozhan and Ahmadi, Sara (2021) Evaluation of hydrogen bonds formation in the selected rare sugars based on 6-31G*and 6-311++ G(d,p) basis sets. Journal of Molecular Modeling, 27 (11). ISSN 1610-2940, DOI https://doi.org/10.1007/s00894-021-04916-9.

Kueh, R. and Rahman, N.A. and Merican, A.F. (2003) Computational Docking of L-arginine and its structural analogues to C-terminal domain of escherichia coli arginine repressor protein (ARGRC). Journal of Molecular Modeling, 9 (2). pp. 88-98. ISSN 0948-5023, DOI https://doi.org/10.1007/s00894-002-0115-8.

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Yap, B.K. and Buckle, M.J. and Doughty, S.W. (2012) Homology modeling of the human 5-HT(1A), 5-HT (2A), D1, and D2 receptors: model refinement with molecular dynamics simulations and docking evaluation. Journal of Molecular Modeling. ISSN 1610-2940, DOI 22354276.