Sairam Swaroop Mallajosyula
Affiliations: | 2013- | Chemistry | IIT Gandhinagar |
Area:
Molecular Simulations and Force Field DevelopmentWebsite:
https://sites.google.com/iitgn.ac.in/sairamlab/homeGoogle:
"Sairam Mallajosyula"Mean distance: (not calculated yet)
Parents
Sign in to add mentorChildren
Sign in to add trainee| Hemanth Haridas | grad student | 2018- | Indian Institute of Technology Gandhinagar |
| Chythra J N | grad student | 2019- | Indian Institute of Technology Gandhinagar |
| Poonam Pandey | grad student | 2013-2019 | Indian Inst. of Technology Gandhinagar |
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Publications
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| J N C, Mallajosyula SS. (2022) Impact of Polarization on the Ring Puckering Dynamics of Hexose Monosaccharides. Journal of Chemical Information and Modeling. 63: 208-223 |
| Pandey P, Aytenfisu AH, MacKerell AD, et al. (2019) Drude Polarizable Force Field Parametrization of Carboxylate and N-acetyl Amine Carbohydrate Derivatives. Journal of Chemical Theory and Computation |
| Pandey P, Mallajosyula SS. (2019) Elucidating the role of key structural motifs in antifreeze glycoproteins. Physical Chemistry Chemical Physics : Pccp |
| Pandey P, Patel V, George NV, et al. (2018) KELM-CPPpred: Kernel Extreme Learning Machine Based Prediction Model for Cell-Penetrating Peptides. Journal of Proteome Research |
| Pandey P, Mallajosyula SS. (2016) Influence of Polarization on Carbohydrate Hydration: A Comparative Study Using Additive and Polarizable Force Fields. The Journal of Physical Chemistry. B |
| Wu EL, Qi Y, Park S, et al. (2015) Insight into Early-Stage Unfolding of GPI-Anchored Human Prion Protein. Biophysical Journal. 109: 2090-2100 |
| Mallajosyula SS, Jo S, Im W, et al. (2015) Molecular dynamics simulations of glycoproteins using CHARMM. Methods in Molecular Biology (Clifton, N.J.). 1273: 407-29 |
| Mallajosyula SS, Vanommeslaeghe K, MacKerell AD. (2014) Perturbation of long-range water dynamics as the mechanism for the antifreeze activity of antifreeze glycoprotein. The Journal of Physical Chemistry. B. 118: 11696-706 |
| Patel DS, Pendrill R, Mallajosyula SS, et al. (2014) Conformational properties of α- or β-(1→6)-linked oligosaccharides: Hamiltonian replica exchange MD simulations and NMR experiments. The Journal of Physical Chemistry. B. 118: 2851-71 |
| Sabit H, Mallajosyula SS, MacKerell AD, et al. (2013) Transmembrane domain II of the human bile acid transporter SLC10A2 coordinates sodium translocation. The Journal of Biological Chemistry. 288: 32394-404 |