Rajendra Kumar
Jawaharlal Nehru University
1 paper in the Anchorcite directory, published in 2014, cited 4,955 times in total.
ORCID profileResearch topics
- Computational Drug Discovery Methods · 1 paper
- DNA and Nucleic Acid Chemistry · 1 paper
- HIV/AIDS drug development and treatment · 1 paper
Papers
- g_mmpbsa —A GROMACS Tool for High-Throughput MM-PBSA CalculationsJournal of Chemical Information and Modeling · 2014 · 4,955 citations
Molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), a method to estimate interaction free energies, has been increasingly used in the study of biomolecular interactions. Recently, this method has also been applied as a scoring function in computational drug design. Here a…
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