Introducing mirror-image discrimination capability to the TSR-based method for capturing stereo geometry and understanding hierarchical structure relationships of protein receptor family

Publication date: April 2023Source: Computational Biology and Chemistry, Volume 103Author(s): Titli Sarkar, Yuwu Chen, Yu Wang, Yixin Chen, Feng Chen, Camille R. Reaux, Laura E. Moore, Vijay Raghavan, Wu Xu

Computational docking investigation of phytocompounds from bergamot essential oil against <em>Serratia marcescens</em> protease and FabI: Alternative pharmacological strategy

Publication date: Available online 15 February 2023Source: Computational Biology and ChemistryAuthor(s): Kiran Bharat Lokhande, Ayushi Tiwari, Swapnil Gaikwad, Supriya Kore, Neelu Nawani, Minal Wani, K. Venkateswara Swamy, Sarika Vishnu Pawar