Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations. - Koyambo-Konzapa, Stève-Jonathan; Vamhindi, Berthelot S. D. Ramlina; Khudaykulov, Bekzod; Sidhom, Peter A.; Khan, Shahzeb; Abdelbacki, Ashraf M. M.; Abdelrahman, Alaa H. M.; Ibrahim, Mahmoud A. A. (PLoS ONE, 2025)