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Structural insights into the potential binding sites of Cathepsin D using molecular modelling techniques.
Amino Acids. 2024 Apr 22;56(1):33. doi: 10.1007/s00726-023-03367-1.
Amino Acids. 2024.
PMID: 38649596
Free PMC article.
Molecular insights into the inhibition of early stages of Aβ peptide aggregation and destabilization of Alzheimer's Aβ protofibril by dipeptide D-Trp-Aib: A molecular modelling approach.
Mohammed AA, Barale SS, Kamble SA, Paymal SB, Sonawane KD.
Mohammed AA, et al. Among authors: paymal sb.
Int J Biol Macromol. 2023 Jul 1;242(Pt 3):124880. doi: 10.1016/j.ijbiomac.2023.124880. Epub 2023 May 20.
Int J Biol Macromol. 2023.
PMID: 37217059
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Structure based virtual screening, molecular dynamic simulation to identify the oxadiazole derivatives as inhibitors of Enterococcus D-Ala-D-Ser ligase for combating vancomycin resistance.
Paymal SB, Barale SS, Supanekar SV, Sonawane KD.
Paymal SB, et al.
Comput Biol Med. 2023 Jun;159:106965. doi: 10.1016/j.compbiomed.2023.106965. Epub 2023 Apr 20.
Comput Biol Med. 2023.
PMID: 37119552
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