CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate–Protein Modeling
Guvench, Olgun, Mallajosyula, Sairam S, Raman, E. Prabhu, Hatcher, Elizabeth, Vanommeslaeghe, Kenno, Foster, Theresa J, Jamison, Francis W, MacKerell, Alexander D
Published in Journal of chemical theory and computation (11.10.2011)
Published in Journal of chemical theory and computation (11.10.2011)
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Reproducing Crystal Binding Modes of Ligand Functional Groups Using Site-Identification by Ligand Competitive Saturation (SILCS) Simulations
Raman, E. Prabhu, Yu, Wenbo, Guvench, Olgun, MacKerell, Alexander D
Published in Journal of chemical information and modeling (25.04.2011)
Published in Journal of chemical information and modeling (25.04.2011)
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Journal Article
Combining statistical models using modified spectral subtraction method for embedded system
Balaji, V.R., S, Maheswaran, Rajesh Babu, M., Kowsigan, M., E., Prabhu, K, Venkatachalam
Published in Microprocessors and microsystems (01.03.2020)
Published in Microprocessors and microsystems (01.03.2020)
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Thermal conductivity-based hydrogen in argon detector (HAD): Design, development of instrumentation, and performance evaluation
Lakshmigandhan, I, Premalatha, S, Prabhu, E, Ravindranath, Nair Afijith, Gunasekaran, G, Jayaraman, V
Published in Review of scientific instruments (01.12.2023)
Published in Review of scientific instruments (01.12.2023)
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Phase pure rhombohedral R3¯m$R\bar{3}m$ AgCoO2 delafossite: Rietveld, selected area electron diffraction, X‐ray photoemission spectroscopy, and magnetic studies
Nancy Anna Anasthasiya A, Murugesan, S, Prabhu, E, Sivaraman, N, Gnanasekar KI
Published in Journal of the American Ceramic Society (01.06.2022)
Published in Journal of the American Ceramic Society (01.06.2022)
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Journal Article
Pharmacophore Modeling Using Site-Identification by Ligand Competitive Saturation (SILCS) with Multiple Probe Molecules
Yu, Wenbo, Lakkaraju, Sirish Kaushik, Raman, E. Prabhu, Fang, Lei, MacKerell, Alexander D
Published in Journal of chemical information and modeling (23.02.2015)
Published in Journal of chemical information and modeling (23.02.2015)
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Electrical conductivity, carrier concentration, mobility and XPS studies on thin films of metallic PdCoO2 delafossite
John, Lisa, Mrinaleni, R. S., Amaladass, Edward Prabu, Pan, Sourav, Prabhu, E., Sivaraman, N., Gnanasekar, K. I.
Published in Applied physics. A, Materials science & processing (01.04.2024)
Published in Applied physics. A, Materials science & processing (01.04.2024)
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Journal Article
Mapping Functional Group Free Energy Patterns at Protein Occluded Sites: Nuclear Receptors and G‑Protein Coupled Receptors
Lakkaraju, Sirish Kaushik, Yu, Wenbo, Raman, E. Prabhu, Hershfeld, Alena V, Fang, Lei, Deshpande, Deepak A, MacKerell, Alexander D
Published in Journal of chemical information and modeling (23.03.2015)
Published in Journal of chemical information and modeling (23.03.2015)
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Journal Article
Sampling of Organic Solutes in Aqueous and Heterogeneous Environments Using Oscillating Excess Chemical Potentials in Grand Canonical-like Monte Carlo-Molecular Dynamics Simulations
Lakkaraju, Sirish Kaushik, Raman, E. Prabhu, Yu, Wenbo, MacKerell, Alexander D
Published in Journal of chemical theory and computation (10.06.2014)
Published in Journal of chemical theory and computation (10.06.2014)
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Journal Article
Estimation of relative free energies of binding using pre‐computed ensembles based on the single‐step free energy perturbation and the site‐identification by Ligand competitive saturation approaches
Raman, E. Prabhu, Lakkaraju, Sirish Kaushik, Denny, Rajiah Aldrin, MacKerell, Alexander D.
Published in Journal of computational chemistry (05.06.2017)
Published in Journal of computational chemistry (05.06.2017)
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Small-molecule inhibitors of ERK-mediated immediate early gene expression and proliferation of melanoma cells expressing mutated BRaf
Samadani, Ramin, Zhang, Jun, Brophy, Amanda, Oashi, Taiji, Priyakumar, U Deva, Raman, E Prabhu, St John, Franz J, Jung, Kwan-Young, Fletcher, Steven, Pozharski, Edwin, MacKerell, Jr, Alexander D, Shapiro, Paul
Published in Biochemical journal (01.05.2015)
Published in Biochemical journal (01.05.2015)
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