Timir Tripathi

Molecular Docking and In Silico ADMET Study Reveals Acylguanidine 7a as a Potential Inhibitor of β-Secretase

Ashwini Kumar, Awanish Kumar, Chaluveelaveedu Murleedharan Nisha, 2016, Adv. Bioinformatics.

Accelerating COVID-19 Research Using Molecular Dynamics Simulation.

Soumya Lipsa Rath, Timir Tripathi, Aditya K Padhi, 2021, The journal of physical chemistry. B.

Molecular Dynamics Simulation in Drug Discovery: Opportunities and Challenges

Rohit Shukla, Timir Tripathi, T. Tripathi, 2021 .

Alterations in conformational topology and interaction dynamics caused by L418A mutation leads to activity loss of Mycobacterium tuberculosis isocitrate lyase.

Rohit Shukla, Harish Shukla, Timir Tripathi, 2017, Biochemical and biophysical research communications.

Identification of potential inhibitors of Fasciola gigantica thioredoxin1: computational screening, molecular dynamics simulation, and binding free energy studies

Dev Bukhsh Singh, Rohit Shukla, Harish Shukla, 2018, Journal of biomolecular structure & dynamics.

Distant Phe345 mutation compromises the stability and activity of Mycobacterium tuberculosis isocitrate lyase by modulating its structural flexibility

Rohit Shukla, Harish Shukla, Timir Tripathi, 2017, Scientific Reports.

Structure-based screening and molecular dynamics simulations offer novel natural compounds as potential inhibitors of Mycobacterium tuberculosis isocitrate lyase

Rohit Shukla, Harish Shukla, Timir Tripathi, 2018, Journal of biomolecular structure & dynamics.