Sairam S. Mallajosyula

发表

Conformational Determinants of the Activity of Antiproliferative Factor Glycopeptide

Alexander D. MacKerell, Sairam S. Mallajosyula, Kristie M. Adams, 2013, J. Chem. Inf. Model..

CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling.

Alexander D. MacKerell, Kenno Vanommeslaeghe, Olgun Guvench, 2011, Journal of chemical theory and computation.

Conformational Properties of α- or β-(1→6)-Linked Oligosaccharides: Hamiltonian Replica Exchange MD Simulations and NMR Experiments

Alexander D. MacKerell, Sairam S. Mallajosyula, Dhilon S. Patel, 2014, The journal of physical chemistry. B.

Influence of solvent and intramolecular hydrogen bonding on the conformational properties of o-linked glycopeptides.

Alexander D. MacKerell, Alexander D MacKerell, Sairam S. Mallajosyula, 2011, The journal of physical chemistry. B.

KELM-CPPpred: Kernel Extreme Learning Machine Based Prediction Model for Cell-Penetrating Peptides.

Nithin V. George, Vinal Patel, Nithin V George, 2018, Journal of proteome research.

Template-free H-dimer and H-aggregate formation by dimeric carbocyanine dyes

Sairam S. Mallajosyula, Amarjyoti Das Mahapatra, Prathap Reddy Patlolla, 2018 .

Template‐Free Self‐Assembly of Dimeric Dicarbocyanine Dyes

Sairam S. Mallajosyula, Prathap Reddy Patlolla, B. Datta, 2017 .

CHARMM Additive All-Atom Force Field for Phosphate and Sulfate Linked to Carbohydrates.

Alexander D. MacKerell, Olgun Guvench, Sairam S. Mallajosyula, 2012, Journal of chemical theory and computation.

Molecular dynamics simulations of glycoproteins using CHARMM.

Alexander D. MacKerell, Sairam S. Mallajosyula, W. Im, 2015, Methods in molecular biology.

Perturbation of Long-Range Water Dynamics as the Mechanism for the Antifreeze Activity of Antifreeze Glycoprotein

Alexander D. MacKerell, Sairam S. Mallajosyula, K. Vanommeslaeghe, 2014, The journal of physical chemistry. B.

Molecular modelling of a chemodosimeter for the selective detection of As(III) ion in water

Sairam S. Mallajosyula, A. Datta, S. Pati, 2008 .

Influence of Polarization on Carbohydrate Hydration: A Comparative Study Using Additive and Polarizable Force Fields.

Sairam S. Mallajosyula, Poonam Pandey, 2016, The journal of physical chemistry. B.

Branching effect on triphenylamine-CF3 cyanostilbenes: enhanced emission and aggregation in water

Sairam S. Mallajosyula, Arnab Dutta, B. Kumari, 2019, New Journal of Chemistry.

Elucidating the role of key structural motifs in antifreeze glycoproteins.

Sairam S. Mallajosyula, Poonam Pandey, 2019, Physical chemistry chemical physics : PCCP.

Classification of the human THAP protein family identifies an evolutionarily conserved coiled coil region

Sairam S. Mallajosyula, Hiral M. Sanghavi, S. Majumdar, 2019, BMC Structural Biology.

Capturing Concentration-Induced Aggregation of Nucleobases on a Graphene Surface through Polarizable Force Field Simulations

Sairam S. Mallajosyula, P. Yadav, H. H, 2022, The Journal of Physical Chemistry C.

Effect of protonation on the electronic properties of DNA base pairs: applications for molecular electronics.

Sairam S. Mallajosyula, S. Pati, 2007, The journal of physical chemistry. B.

Phosphorylation-Induced Structural Reorganization in Tau-Paired Helical Filaments.

Sairam S. Mallajosyula, Lata Rani, 2021, ACS chemical neuroscience.

Conformational tuning of magnetic interactions in metal-DNA complexes.

Sairam S. Mallajosyula, S. Pati, 2009, Angewandte Chemie.

Polarization influences the evolution of nucleobase-graphene interactions.

Sairam S. Mallajosyula, H. H, 2021, Nanoscale.

Capturing charge and size effects of ions at the graphene–electrolyte interface using polarizable force field simulations

Sairam S. Mallajosyula, H. H, Rohan Mewada, 2023, Nanoscale advances.

Quantifying Aromaticity at the Molecular and Supramolecular Limits: Comparing Homonuclear, Heteronuclear, and H-Bonded Systems.

Ayan Datta, Abdul Rehaman, Sairam S. Mallajosyula, 2006, Journal of chemical theory and computation.

Drude Polarizable Force Field Parametrization of Carboxylate and N-acetyl Amine Carbohydrate Derivatives.

Alexander D. MacKerell, Sairam S. Mallajosyula, Asaminew H. Aytenfisu, 2019, Journal of chemical theory and computation.

Insight into Early-Stage Unfolding of GPI-Anchored Human Prion Protein.

Alexander D. MacKerell, Sairam S. Mallajosyula, Jeffery B. Klauda, 2015, Biophysical journal.

Site-Specific Stabilization and Destabilization of α Helical Peptides upon Phosphorylation and O-GlcNAcylation.

Sairam S. Mallajosyula, Lata Rani, 2021, The journal of physical chemistry. B.

Organometallic vanadium-borazine systems: efficient one-dimensional half-metallic spin filters

Sairam S. Mallajosyula, S. Pati, P. Parida, 2009, 0904.1342.

Vanadium--benzimidazole-modified sDNA: a one-dimensional half-metallic ferromagnet.

Sairam S. Mallajosyula, S. Pati, 2007, The journal of physical chemistry. B.

Phosphorylation versus O-GlcNAcylation: Computational Insights into the Differential Influences of the Two Competitive Post-Translational Modifications.

Sairam S. Mallajosyula, Lata Rani, 2017, The journal of physical chemistry. B.

Structure and electronic properties of the Watson–Crick base pairs: Role of hydrogen bonding

Sairam S. Mallajosyula, A. Datta, S. Pati, 2005 .

SixC1−xO2 alloys: A possible route to stabilize carbon-based silica-like solids?

Govind, Stefano de Gironcoli, Joseph A Morrone, 2007 .

O 2 alloys : A possible route to stabilize carbon-based silica-like solids ?

Stefano de Gironcoli, Joseph A Morrone, Jun Hee Lee, 2007 .

Transmembrane Domain II of the Human Bile Acid Transporter SLC10A2 Coordinates Sodium Translocation*

Alexander D. MacKerell, Sairam S. Mallajosyula, P. Swaan, 2013, The Journal of Biological Chemistry.

Sequence dependent electron transport in wet DNA: ab initio and molecular dynamics studies.

Sairam S. Mallajosyula, D. Cox, S. Pati, 2008, Physical review letters.

Structure and transport characteristics of modified DNA with magnetic ions.

Sairam S. Mallajosyula, S. Pati, 2007, Physical review letters.

Fluctuations at the base pair level effecting charge transfer in DNA.

Sairam S. Mallajosyula, S. Pati, Ashutosh Gupta, 2009, The journal of physical chemistry. A.

Experimental and simulation studies reveal mechanism of action of human defensin derivatives.

Sairam S. Mallajosyula, Abhijit Mishra, A. Arora, 2021, Biochimica et biophysica acta. Biomembranes.

Impact of Polarization on the Ring Puckering Dynamics of Hexose Monosaccharides

Sairam S. Mallajosyula, N. ChythraJ., 2022, Journal of Chemical Information and Modeling.

Nonlocal electronic distribution in metallic clusters: a critical examination of aromatic stabilization.

Sairam S. Mallajosyula, A. Datta, S. Pati, 2007, Accounts of chemical research.

Effect of Phosphorylation and O-GlcNAcylation on Proline-Rich Domains of Tau.

Sairam S. Mallajosyula, J. Mittal, Lata Rani, 2020, The journal of physical chemistry. B.

Toward DNA Conductivity: A Theoretical Perspective

Sairam S. Mallajosyula, S. Pati, 2010 .

Adsorption of DNA Bases on Two‐Dimensional Boron Sheets

Sairam S. Mallajosyula, Amita Sihag, 2019, ChemistrySelect.

Conformational tuning of magnetic interactions in metal-DNA complexes.

Sairam S. Mallajosyula, S. Pati, 2009, Angewandte Chemie.