Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq<sub>1</sub> riboswitch.

Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq₁ riboswitch.

Jana, Kalyanashis; Wakchaure, Padmaja D; Ghosh, Shibaji; Bandyopadhyay, Tusar; Ganguly, Bishwajit.

Jana K; Computation and Simulation Unit (Analytical Discipline and Centralized Instrument Facility), CSIR-Central Salt and Marine Chemicals Research Institute, Bhavnagar, Gujarat, India.
Wakchaure PD; Academy of Scientific and Innovative Research, CSIR-CSMCRI, Bhavnagar, Gujarat, India.
Ghosh S; Computation and Simulation Unit (Analytical Discipline and Centralized Instrument Facility), CSIR-Central Salt and Marine Chemicals Research Institute, Bhavnagar, Gujarat, India.
Bandyopadhyay T; Academy of Scientific and Innovative Research, CSIR-CSMCRI, Bhavnagar, Gujarat, India.
Ganguly B; Computation and Simulation Unit (Analytical Discipline and Centralized Instrument Facility), CSIR-Central Salt and Marine Chemicals Research Institute, Bhavnagar, Gujarat, India.

J Biomol Struct Dyn ; 38(15): 4635-4643, 2020 Sep.

Article en En | MEDLINE | ID: mdl-31630627