Identification of potential inhibitors of Mycobacterium tuberculosis shikimate kinase: molecular docking, in silico toxicity and in vitro experiments Talita Freitas de FreitasCandida Deves RothLuis Fernando Saraiva Macedo Timmers OriginalPaper 22 December 2022 Pages: 117 - 128
pH-dependent solubility prediction for optimized drug absorption and compound uptake by plants Anne BoninFloriane MontanariAndreas H. Göller OriginalPaper 17 February 2023 Pages: 129 - 145
GPCRLigNet: rapid screening for GPCR active ligands using machine learning Jacob M RemingtonKyle T McKayJianing Li OriginalPaper 25 February 2023 Pages: 147 - 156
Inhibition mechanism of MRTX1133 on KRASG12D: a molecular dynamics simulation and Markov state model study Fanglin LiangZhengzhong KangJianxin Cheng OriginalPaper 28 February 2023 Pages: 157 - 166