PTM‐Psi : A python package to facilitate the computational investigation of p ost‐ t ranslational m odification on p rotein s tructures and their i mpacts on dynamics and func...

por Mejia‐Rodriguez, Daniel, Kim, Hoshin, Sadler, Natalie, Li, Xiaolu, Bohutskyi, Pavlo, Valiev, Marat, Qian, Wei‐Jun, Cheung, Margaret S.
Publicado 2023

Properties of Gaseous Deprotonated L-Cysteine S-Sulfate Anion [cysS-SO(3)](−): Intramolecular H-Bond Network, Electron Affinity, Chemically Active Site, and Vibrational Fingerprint...

por Wang, Qiaolin, Qin, Zhengbo, Hou, Gao-Lei, Yang, Zheng, Valiev, Marat, Wang, Xue-Bin, Zheng, Xianfeng, Cui, Zhifeng
Publicado 2023

Site Density Functional Theory and Structural Bioinformatics Analysis of the SARS-CoV Spike Protein and hACE2 Complex

por Kumawat, Nitesh, Tucs, Andrejs, Bera, Soumen, Chuev, Gennady N., Valiev, Marat, Fedotova, Marina V., Kruchinin, Sergey E., Tsuda, Koji, Sljoka, Adnan, Chakraborty, Amit
Publicado 2022