Sairam S. Mallajosyula
Sairam S. Mallajosyula
Assistant Professor, Chemsitry, Indian Institute of Technology, Gandhinagar
Bestätigte E-Mail-Adresse bei iitgn.ac.in
Titel
Zitiert von
Zitiert von
Jahr
CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate–protein modeling
O Guvench, SS Mallajosyula, EP Raman, E Hatcher, K Vanommeslaeghe, ...
Journal of chemical theory and computation 7 (10), 3162-3180, 2011
4122011
CHARMM additive all-atom force field for phosphate and sulfate linked to carbohydrates
SS Mallajosyula, O Guvench, E Hatcher, AD MacKerell Jr
Journal of chemical theory and computation 8 (2), 759-776, 2012
1032012
Toward DNA conductivity: a theoretical perspective
SS Mallajosyula, SK Pati
The Journal of Physical Chemistry Letters 1 (12), 1881-1894, 2010
842010
Conformational tuning of magnetic interactions in metal–DNA complexes
SS Mallajosyula, SK Pati
Angewandte Chemie International Edition 48 (27), 4977-4981, 2009
662009
Nonlocal electronic distribution in metallic clusters: A critical examination of aromatic stabilization
A Datta, SS Mallajosyula, SK Pati
Accounts of chemical research 40 (3), 213-221, 2007
592007
Organometallic vanadium-borazine systems: efficient one-dimensional half-metallic spin filters
SS Mallajosyula, P Parida, SK Pati
Journal of Materials Chemistry 19 (12), 1761-1766, 2009
582009
Quantifying aromaticity at the molecular and supramolecular limits: comparing homonuclear, heteronuclear, and H-bonded systems
A Rehaman, A Datta, SS Mallajosyula, SK Pati
Journal of chemical theory and computation 2 (1), 30-36, 2006
572006
Influence of solvent and intramolecular hydrogen bonding on the conformational properties of O-linked glycopeptides
SS Mallajosyula, AD MacKerell Jr
The Journal of Physical Chemistry B 115 (38), 11215-11229, 2011
542011
Vanadium− Benzimidazole-Modified sDNA: A One-Dimensional Half-Metallic Ferromagnet
SS Mallajosyula, SK Pati
The Journal of Physical Chemistry B 111 (50), 13877-13880, 2007
452007
Sequence Dependent Electron Transport in Wet DNA: Ab initio and Molecular Dynamics Studies
SS Mallajosyula, JC Lin, DL Cox, SK Pati, RRP Singh
Physical review letters 101 (17), 176805, 2008
442008
Structures of nucleobases trapped within Au triangles and its effects on hydrogen bonding in base pairs of DNA
PJ Mohan, A Datta, SS Mallajosyula, SK Pati
The Journal of Physical Chemistry B 110 (37), 18661-18664, 2006
422006
Conformational Properties of α-or β-(1→ 6)-linked Oligosaccharides: Hamiltonian Replica Exchange MD Simulations and NMR Experiments
DS Patel, R Pendrill, SS Mallajosyula, G Widmalm, AD MacKerell Jr
402014
Aromatic superclusters from all-metal aromatic and antiaromatic monomers,[Al4] 2-and [Al4] 4
SS Mallajosyula, A Datta, SK Pati
The Journal of Physical Chemistry B 110 (41), 20098-20101, 2006
332006
Perturbation of long-range water dynamics as the mechanism for the antifreeze activity of antifreeze glycoprotein
SS Mallajosyula, K Vanommeslaeghe, AD MacKerell Jr
The Journal of Physical Chemistry B 118 (40), 11696-11706, 2014
262014
Structure and electronic properties of the Watson–Crick base pairs: Role of hydrogen bonding
SS Mallajosyula, A Datta, SK Pati
Synthetic metals 155 (2), 398-401, 2005
262005
Effect of protonation on the electronic properties of DNA base pairs: Applications for molecular electronics
SS Mallajosyula, SK Pati
The Journal of Physical Chemistry B 111 (40), 11614-11618, 2007
252007
Structure and transport characteristics of modified DNA with magnetic ions
SS Mallajosyula, SK Pati
Physical review letters 98 (13), 136601, 2007
252007
Fluctuations at the Base Pair Level Effecting Charge Transfer in DNA
SS Mallajosyula, A Gupta, SK Pati
The Journal of Physical Chemistry A 113 (16), 3955-3962, 2009
242009
KELM-CPPpred: Kernel extreme learning machine based prediction model for cell-penetrating peptides
P Pandey, V Patel, NV George, SS Mallajosyula
Journal of proteome research 17 (9), 3214-3222, 2018
202018
Insight into early-stage unfolding of GPI-anchored human prion protein
EL Wu, Y Qi, S Park, SS Mallajosyula, AD MacKerell Jr, JB Klauda, W Im
Biophysical journal 109 (10), 2090-2100, 2015
172015
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