Sairam S. Mallajosyula
Sairam S. Mallajosyula
Assistant Professor, Chemsitry, Indian Institute of Technology, Gandhinagar
在 iitgn.ac.in 的电子邮件经过验证
标题
引用次数
引用次数
年份
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
4362011
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
1062012
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
652009
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
602007
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
562006
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
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
452008
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
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
422014
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
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
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
272005
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
262007
Structure and transport characteristics of modified DNA with magnetic ions
SS Mallajosyula, SK Pati
Physical review letters 98 (13), 136601, 2007
262007
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
252018
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
252014
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
Molecular dynamics simulations of glycoproteins using CHARMM
SS Mallajosyula, S Jo, W Im, AD MacKerell
Glycoinformatics, 407-429, 2015
192015
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