Computational design of S-nitrosothiol "Click" reactions. - Marat R. Talipov; Dmitry G. Khomyakov; Ming Xian; Qadir K. Timerghazin (J. Comput. Chem., 2013)

Role of Conserved Histidine and Serine in the HCXXXXXRS Motif of Human Dual-Specificity Phosphatase 5. - Ankan Gupta; Jaladhi Brahmbhatt; Raulia Syrlybaeva; Catherine Bodnar; Natalia Bodnar; Robert Bongard; Phani Raj Pokkuluri; Daniel S. Sem; Ramani Ramchandran; Rajendra Rathore; Marat R. Talipov (J. Chem. Inf. Model., 2019)

Efficient newton-raphson/singular value decomposition-based optimization scheme with dynamically updated critical condition number for rapid convergence of weighted histogram analysis method equations. - Roma Mukhopadhyay; Marat R. Talipov (J. Comput. Chem., 2020)