High-Throughput Molecular Dynamics-Based Alchemical Free Energy Calculations for Predicting the Binding Free Energy Change Associated with the Selected Omicron Mutations in the Spi...

por Bhadane, Rajendra, Salo-Ahen, Outi M. H.
Publicado 2022

Identification of HPr kinase/phosphorylase inhibitors: novel antimicrobials against resistant Enterococcus faecalis

por Kumar, Sandeep, Bhadane, Rajendra, Shandilya, Shruti, Salo-Ahen, Outi M. H., Kapila, Suman
Publicado 2022

The interaction of the bioflavonoids with five SARS-CoV-2 proteins targets: An in silico study

por Mishra, Ganesh Prasad, Bhadane, Rajendra N., Panigrahi, Debadash, Amawi, Haneen A., Asbhy, Charles R., Tiwari, Amit K.
Publicado 2021

Design, Synthesis, in vitro and in silico Characterization of 2‐Quinolone‐L‐alaninate‐1,2,3‐triazoles as Antimicrobial Agents

por Moussaoui, Oussama, Bhadane, Rajendra, Sghyar, Riham, Ilaš, Janez, El Hadrami, El Mestafa, Chakroune, Said, Salo‐Ahen, Outi M. H.
Publicado 2022

Functional block copolymer micelles based on poly (jasmine lactone) for improving the loading efficiency of weakly basic drugs

por Ali, Aliaa, Bhadane, Rajendra, Asl, Afshin Ansari, Wilén, Carl-Eric, Salo-Ahen, Outi, Rosenholm, Jessica M., Bansal, Kuldeep K.
Publicado 2022

Inhibition of Pertussis Toxin by Human α-Defensins-1 and -5: Differential Mechanisms of Action

por Kling, Carolin, Sommer, Anja, Almeida-Hernandez, Yasser, Rodríguez, Armando, Perez-Erviti, Julio A., Bhadane, Rajendra, Ständker, Ludger, Wiese, Sebastian, Barth, Holger, Pupo-Meriño, Mario, Pulliainen, Arto T., Sánchez-García, Elsa, Ernst, Katharina
Publicado 2023