M Rami Reddy
Affiliations: | School of Chemistry University of Hyderabad | Metabasis Therapeutics Inc., San Diego, |
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Parents
Sign in to add mentorEluvathingal Devassay Jemmis | grad student | University of Hyderabad | ||
(Currently at Metabasis Therapeutics Inc., San Diego,) |
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Publications
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Reddy KK, Rathore RS, Srujana P, et al. (2020) Performance evaluation of docking programs- Glide, GOLD, AutoDock & SurflexDock, using free energy perturbation reference data: A case study of fructose-1, 6-bisphosphatase-AMP analogs. Mini Reviews in Medicinal Chemistry |
Reddy MR, Reddy CR, Rathore RS, et al. (2014) Free energy calculations to estimate ligand-binding affinities in structure-based drug design. Current Pharmaceutical Design. 20: 3323-37 |
Rathore RS, Reddy RN, Kondapi AK, et al. (2012) Use of quantum mechanics/molecular mechanics-based FEP method for calculating relative binding affinities of FBPase inhibitors for type-2 diabetes Theoretical Chemistry Accounts. 131: 1096 |
Reddy MR, Singh UC, Erion MD. (2011) Use of a QM/MM-based FEP method to evaluate the anomalous hydration behavior of simple alkyl amines and amides: application to the design of FBPase inhibitors for the treatment of type-2 diabetes. Journal of the American Chemical Society. 133: 8059-61 |
Rathore RS, Aparoy P, Reddanna P, et al. (2011) Minimum MD simulation length required to achieve reliable results in free energy perturbation calculations: case study of relative binding free energies of fructose-1,6-bisphosphatase inhibitors. Journal of Computational Chemistry. 32: 2097-103 |
Erion MD, Dang Q, Reddy MR, et al. (2007) Structure-guided design of AMP mimics that inhibit fructose-1,6-bisphosphatase with high affinity and specificity. Journal of the American Chemical Society. 129: 15480-90 |
Reddy MR, Erion MD. (2007) Relative binding affinities of fructose-1,6-bisphosphatase inhibitors calculated using a quantum mechanics-based free energy perturbation method. Journal of the American Chemical Society. 129: 9296-7 |
Mutyala R, Reddy RN, Sumakanth M, et al. (2007) Calculation of relative binding affinities of fructose 1,6-bisphosphatase mutants with adenosine monophosphate using free energy perturbation method. Journal of Computational Chemistry. 28: 932-7 |
Reddy MR, Singh UC, Erion MD. (2007) Ab initio quantum mechanics-based free energy perturbation method for calculating relative solvation free energies. Journal of Computational Chemistry. 28: 491-4 |
Reddy MR, Erion MD. (2005) Computer-aided drug design strategies used in the discovery of fructose 1, 6-bisphosphatase inhibitors. Current Pharmaceutical Design. 11: 283-94 |