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R. Nageswara Reddy
R. Nageswara Reddy
Molecular mechanics
Computational chemistry
Free energy perturbation
Chemistry
free energies
3
Papers
60
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Free energy calculations to estimate ligand-binding affinities in structure-based drug design.
2014
Current Pharmaceutical Design
M. Rami Reddy
C. Ravikumar Reddy
R. S. Rathore
Mark D. Erion
Polamarasetty Aparoy
R. Nageswara Reddy
Pallu Reddanna
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Citations (45)
Use of quantum mechanics/molecular mechanics-based FEP method for calculating relative binding affinities of FBPase inhibitors for type-2 diabetes
2012
Theoretical Chemistry Accounts
R. S. Rathore
R. Nageswara Reddy
Anand K. Kondapi
Pallu Reddanna
M. Rami Reddy
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Citations (13)
A comparison of computer aided drug design methods for calculating relative binding affinities of COX-2 inhibitors
2006
Indian journal of chemistry. Sect. A: Inorganic, physical, theoretical & analytical
M. Amaravani
R. Nageswara Reddy
Ravichandra Mutyala
G.V.N. Reddy
Pallu Reddanna
M. Rami Reddy
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Citations (2)
1