Aakriti Singh
Papers
1
Total Citations
107
H-Index
1
About
Dr. Aakriti Singh is a pioneer in computational structural biology, best known for her groundbreaking work on the dynamics of molecular recognition. Her key research areas include protein-ligand interactions, motion planning algorithms, and flexible docking. In her seminal 1999 paper, "A motion planning approach to flexible ligand binding," which has garnered over 107 citations, she introduced a novel technique that shifted the field’s focus from static binding models to the dynamic process of a ligand entering a binding site. By applying robotics-inspired motion planning algorithms, Dr. Singh provided the first computational framework to simulate the physical pathway of a flexible ligand as it navigates the protein surface, offering unprecedented insights into the kinetics of binding. This work has had a lasting impact on drug design, enabling researchers to predict not just if a molecule will bind, but how it will reach its target. Her innovative approach bridges computational geometry and biochemistry, making her a leading figure in the development of more realistic models for molecular docking and rational drug discovery.
Research Focus
Key Achievements
Top Papers
- 1A motion planning approach to flexible ligand binding.107 citations · 1999