Density Functional Theory, Molecular Dynamics and AlteQ Studies Approaches of Baimantuoluoamide A and Baimantuoluoamide B to Identify Potential Inhibitors of M(pro) Proteins: a Nov...

por Gurushankar, K., Jeyaseelan, S. Ch., Grishina, M., Siswanto, I., Tiwari, R., Puspaningsih, N. N. T.
Publicado 2023

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

por Sushko, I, Pandey, AK, Novotarskyi, S, Körner, R, Rupp, M, Teetz, W, Brandmaier, S, Abdelaziz, A, Prokopenko, VV, Tanchuk, VY, Todeschini, R, Varnek, A, Marcou, G, Ertl, P, Potemkin, V, Grishina, M, Gasteiger, J, Baskin, II, Palyulin, VA, Radchenko, EV, Welsh, WJ, Kholodovych, V, Chekmarev, D, Cherkasov, A, Aires-de-Sousa, J, Zhang, Q-Y, Bender, A, Nigsch, F, Patiny, L, Williams, A, Tkachenko, V, Tetko, IV
Publicado 2011