Publications

347 entries « 3 of 7 »

2017

101.

Modeling complex biomolecular systems and processes using molecular mechanics force fields and molecular dynamics simulations Journal Article

U. Deva Priyakumar

SILADITYA Padhi, U Deva Priyakumar

Theoretical and computational advances: From atoms to molecules to materials, 1 , 105-127) (2017)

Links | BibTeX | Tags: publication

102.

How does mg2+ modulate the rna folding mechanism: A case study of the g: Cw: W trans basepair Journal Article

Abhijit Mitra

Antarip Halder, Rohit Roy, Dhananjay Bhattacharyya, Abhijit Mitra

Biophysical journal, 113 , 277-289 (2017)

Links | BibTeX | Tags: publication

103.

Design of RF sensor for simultaneous detection of complex permeability and permittivity of unknown sample Journal Article

Prabhakar Bhimalapuram

Pratik Porwal, Syed Azeemuddin, Prabhakar Bhimalapuram, Tapan Kumar Sau

Progress In Electromagnetics Research, 79 , 159-173 (2017)

Links | BibTeX | Tags: publication

104.

Systems-level organization of non-alcoholic fatty liver disease progression network Journal Article

Vinod PK

K Shubham, L anky Vinay, Vinod PK

Molecular BioSystems, 13 , 1898-1911 (2017)

Links | BibTeX | Tags: publication

105.

Design of RF sensor for simultaneous detection of complex permeability and permittivity of unknown sample Journal Article

Tapan Kumar Sau

Pratik Porwal, Syed Azeemuddin, Prabhakar Bhimalapuram, Tapan Kumar Sau

Progress In Electromagnetics Research, 79 , 159-173 (2017)

Links | BibTeX | Tags: publication

106.

Higher order structures involving post transcriptionally modified nucleobases in RNA Journal Article

Abhijit Mitra

SP Preethi, Purshotam Sharma, Abhijit Mitra

RSC advances, 7 , 35694-35703 (2017)

Links | BibTeX | Tags: publication

107.

THE JOURNAL OF CHEMICAL PHYSICS 146 , 214304 (2017) An alternative laser driven photodissociation mechanism of pyrrole via 1 πσ /S 0 conical intersection Journal Article

Harjinder Singh

Nandipati Krishna Reddy, Zhenzhang Lan,Harjinder Singh, Susanta Mahapatra

THE JOURNAL OF CHEMICAL PHYSICS, 146 (21), 1133-1135 (2017)

Links | BibTeX | Tags: publication

108.

Structural landscape of base pairs containing post-transcriptional modifications in RNA Journal Article

Abhijit Mitra

Preethi P Seelam, Purshotam Sharma, Abhijit Mitra

RNA, 23 , 847-859 (2017)

Links | BibTeX | Tags: publication

109.

Direct Determination of Site-specific Noncovalent Interaction Strengths of Proteins from NMR-derived Fast Side Chain Motional Parameters Journal Article

Marimuthu Krishnan

Rajeshwar Tatikonda Rajitha, Marimuthu Krishnan

Journal of Physical Chemistry B, 121 , 5174–5186 (2017)

Links | BibTeX | Tags: publication

110.

Temperature dependence of the stability of ion pair interactions, and its implications on the thermostability of proteins from thermophiles Journal Article

U. Deva Priyakumar

Swetha Bikkina, Agastya P Bhati, Siladitya Padhi, U Deva Priyakumar

Journal of Chemical Sciences, 129 , 405-414 (2017)

Links | BibTeX | Tags: publication

111.

Initial state-specific photodissociation dynamics of pyrrole via 1πσ∗/S0 conical intersection initiated with optimally controlled UV-laser pulses Journal Article

Harjinder Singh

K. R. Nandipati,Arun Kumar Kanakati,Harjinder Singh,Z. Lan, Susanta Mahapatra

THE EUROPEAN PHYSICAL JOURNAL D, 71 (222), 336-339 (2017)

Links | BibTeX | Tags: publication

112.

Controlling Nuclear and Electronic Motion in Molecules Journal Article

Harjinder Singh

Harjinder singh

Proceedings of Theory Conference on "Ten Years of Excellence in Science: 2006 - 2016, 5 , 20-30 (2017)

Links | BibTeX | Tags: Publications

113.

Reverse Watson-Crick purine-purine base pairs—the Sharp-turn motif and other structural consequences in functional RNAs Journal Article

Abhijit Mitra

Abhinav Mittal, Antarip Halder, Sohini Bhattacharya, Dhananjay Bhattacharyya, Abhijit Mitra

bioRxiv, 098723 (2017)

Links | BibTeX | Tags: publication

114.

Microsecond simulation of human aquaporin 2 reveals structural determinants of water permeability and selectivity Journal Article

U. Deva Priyakumar

Siladitya Padhi, U Deva Priyakumar

Biochimica et Biophysica Acta (BBA)-Biomembranes, 1859 , 10-16 (2017)

Links | BibTeX | Tags: publication

2016

115.

Detection of biotin-streptavidin interaction using RF interdigitated capacitive cavity Journal Article

Tapan Kumar Sau

Pratik Porwal, Azeemuddin Syed, Prabhakar Bhimalapuram, Tapan Kumar Sau

IEEE MTT-S International Microwave and RF Conference, 18 , 2377-9152 (2016)

Links | BibTeX | Tags: publication

116.

Detection of biotin-streptavidin interaction using RF interdigitated capacitive cavity Journal Article

Tapan Kumar Sau

Pratik Porwal, Azeemuddin Syed, Prabhakar Bhimalapuram, Tapan Kumar Sau

IEEE MTT-S International Microwave and RF Conference, 18 , 2377-9152 (2016)

Links | BibTeX | Tags: publication

117.

Urea mimics nucleobases by preserving the helical integrity of B-DNA duplexes via hydrogen bonding and stacking interactions Journal Article

U. Deva Priyakumar

Gorle Suresh, Siladitya Padhi, Indrajit Patil, U Deva Priyakumar

Biochemistry, 55 , 5653–5664 (2016)

Links | BibTeX | Tags: publication

118.

Urea–aromatic stacking and concerted urea transport: conserved mechanisms in urea transporters revealed by molecular dynamics Journal Article

U. Deva Priyakumar

Siladitya Padhi, U Deva Priyakumar

Journal of chemical theory and computation, 12 , 5190-5200 (2016)

Links | BibTeX | Tags: publication

119.

Effects of point mutations on the thermostability of B. subtilis lipase: investigating nonadditivity Journal Article

Abhijit Mitra

Bipin Singh, Gopalakrishnan Bulusu, Abhijit Mitra

Journal of computer-aided molecular design, 30 , 899–916 (2016)

Links | BibTeX | Tags: publication

120.

Regulatory checkpoint remodeling during experimental evolution of flagellar motility Journal Article

Bhaswar Ghosh

Bin Ni, Bhaswar Ghosh, Ferencz S. Pop, Remy Colin, Thomas Heimerl, Victor Sourjik

Cell Report, 18 , 1–12 (2016)

BibTeX | Tags: publication

121.

Sugar Influx Sensing by the Phosphotransferase System of Escherichia coli. Journal Article

Bhaswar Ghosh

Somavanshi R, Bhaswar Ghosh, Sourjik V

PLoS Biol, 14 (8), e2000074. (2016)

Links | BibTeX | Tags: publication

122.

Structure, interaction, and dynamics of Au/Pd bimetallic nanoalloys dispersed in aqueous ethylpyrrolidone, a monomeric moiety of polyvinylpyrrolidone Journal Article

U. Deva Priyakumar

Aditi Gupta, Bundet Boekfa, Hidehiro Sakurai, Masahiro Ehara, U. Deva Priyakumar

The Journal of Physical Chemistry C, 120 , 17454–17464 (2016)

Links | BibTeX | Tags: publication

123.

Observing Ultra‐Small Gold Cluster to Plasmonic Nanoparticle Evolution in a One‐Pot Aqueous Synthesis Journal Article

Tapan kumar Sau

Shweta Bhardwaj, Ramakrishna Itteboina, Tapan kumar Sau

ChemistrySelect, 1 , 3091-3096 (2016)

Links | BibTeX | Tags: publication

124.

Probing compositeness with the CMS eejj & eej data Journal Article

Subhadip Mitra

Tanumoy Mandal, Subhadip Mitra, Satyajit Seth

Physics Letters B, 758 , 219-225 (2016)

Links | BibTeX | Tags: publication

125.

NAPS: Network analysis of protein structures Journal Article

Nita Parekh

Broto Chakrabarty, Nita Parekh

Nucleic acids research, 44 , W375–W382 (2016)

Links | BibTeX | Tags: publication

126.

Ligand-induced stabilization of a duplex-like architecture is crucial for the switching mechanism of the SAM-III riboswitch Journal Article

U. Deva Priyakumar

Gorle Suresh, Harini Srinivasan, Shivani Nanda, U. Deva Priyakumar

Biochemistry, 55 , 3349–3360 (2016)

Links | BibTeX | Tags: publication

127.

Cooperation of hydrophobic gating, knock-on effect, and ion binding determines ion selectivity in the p7 channel Journal Article

U. Deva Priyakumar

Siladitya Padhi, U. Deva Priyakumar

The Journal of Physical Chemistry B, 120 , 4351–4356 (2016)

Links | BibTeX | Tags: publication

128.

Dynamic ligand-based pharmacophore modeling and virtual screening to identify mycobacterial cyclopropane synthase inhibitors Journal Article

U. Deva Priyakumar

Chinmayee Choudhury, U. Deva Priyakumar, G Narahari Sastry

Journal of Chemical Sciences, 128 , 719–732 (2016)

Links | BibTeX | Tags: publication

129.

Structural and Functional Diversities of the Hexadecahydro‐1H‐cyclopenta [a] phenanthrene Framework, a Ubiquitous Scaffold in Steroidal Hormones Journal Article

U. Deva Priyakumar

Chinmayee Choudhury, U. Deva Priyakumar, G Narahari Sastry

Molecular Informatics, 35 , 145-157 (2016)

Links | BibTeX | Tags: publication

130.

Ability of density functional theory methods to accurately model the reaction energy pathways of the oxidation of CO on gold cluster: A benchmark study Journal Article

U. Deva Priyakumar

Saumya Gurtu, Sandhya Rai, Masahiro Ehara, U. Deva Priyakumar

Theoretical Chemistry Accounts, 135 , 6693-7512 (2016)

Links | BibTeX | Tags: publication

131.

Copy number variation detection workflow using next generation sequencing data Journal Article

Nita Parekh

Prashanthi Dharanipragada, Nita Parekh

BMC Bioinformatics, 15 , 55-60 (2016)

Links | BibTeX | Tags: publication

132.

Pair production of scalar leptoquarks at the LHC to NLO parton shower accuracy Journal Article

Subhadip Mitra

Tanumoy Mandal, Subhadip Mitra, Satyajit Seth

Physical Review D, 93 , 035018 (2016)

Links | BibTeX | Tags: publication

133.

Non-relativistic matter and dark energy in a quantum conformal model Journal Article

Subhadip Mitra

Gopal Kashyap, Pankaj Jain, Subhadip Mitra

Astroparticle Physics, 75 , 64-71 (2016)

Links | BibTeX | Tags: publication

134.

Molecular Origins of Polymer-Coupled Helical Motion of Ions in a Crystalline Polymer Electrolyte Journal Article

Marimuthu Krishnan

Ramesh Cheerla, Marimuthu Krishnan

Macromolecules, 49 , 700–707 (2016)

Links | BibTeX | Tags: publication

2015

135.

Sumoylation of Sir2 differentially regulates transcriptional silencing in yeast Journal Article

U. Deva Priyakumar

Abdul Hannan, Neethu Maria Abraham, Siddharth Goyal, Imlitoshi Jamir, U. Deva Priyakumar, Krishnaveni Mishra

Nucleic acids research, 43 , 10213–10226 (2015)

Links | BibTeX | Tags: publication

136.

Modeling the structure of SARS 3a transmembrane protein using a minimum unfavorable contact approach Journal Article

U. Deva Priyakumar

S Ramakrishna, Siladitya Padhi, U. Deva Priyakumar

Journal of Chemical Sciences, 127 , 2159-2169 (2015)

Links | BibTeX | Tags: publication

137.

The fine tuning of the cosmological constant in a conformal model Journal Article

Subhadip Mitra

Pankaj Jain, Gopal Kashyap, Subhadip Mitra

International Journal of Modern Physics A, 30 , 1550171 (2015)

Links | BibTeX | Tags: publication

138.

On a boundary-localized Higgs boson in 5D theories Journal Article

Subhadip Mitra

Roberto Barceló, Subhadip Mitra, Grégory Moreau

The European Physical Journal C, 75 , 527 (2015)

Links | BibTeX | Tags: publication

139.

ELKO fermions as dark matter candidates Journal Article

Subhadip Mitra

Bakul Agarwal, Pankaj Jain, Subhadip Mitra, Alekha C Nayak, Ravindra K Verma

Physical Review D, 92 , 075027 (2015)

Links | BibTeX | Tags: publication

140.

Molecular dynamics study of the structure, flexibility, and hydrophilicity of PETIM dendrimers: a comparison with PAMAM dendrimers Journal Article

U. Deva Priyakumar

Subbarao Kanchi, Gorle Suresh, U. Deva Priyakumar, KG Ayappa, Prabal K Maiti

The Journal of Physical Chemistry B, 119 , 12990–13001 (2015)

Links | BibTeX | Tags: publication

141.

Atomistic details of the molecular recognition of DNA-RNA hybrid duplex by ribonuclease H enzyme Journal Article

U. Deva Priyakumar

Gorle Suresh, U. Deva Priyakumar

Journal of Chemical Sciences, 127 , 1701-1713 (2015)

Links | BibTeX | Tags: Publications

142.

Supercritical Carbon Dioxide at Smectite Mineral-Water Interfaces: Molecular Dynamics and Adaptive Biasing Force Investigation of CO2/H2O Mixtures Nanoconfined in Na … Journal Article

Marimuthu Krishnan

Mohan Maruthi Sena, Christin P. Morrow, R. James James Kirkpatrick, Marimuthu Krishnan

Chemistry of Materials, 27 , 6946–6959 (2015)

Links | BibTeX | Tags: publication

143.

Robustness of Chimera States in Non-locally Coupled Logistic Maps Journal Article

Nita Parekh

B Pranneetha, Nita Parekh

The Chaotic Modeling and Simulation Journal, 2 , 012217 (2015)

Links | BibTeX | Tags: publication

144.

The role of N7 protonation of guanine in determining the structure, stability and function of RNA base pairs Journal Article

Abhijit Mitra

Antarip Halder, Sohini Bhattacharya, Ayan Datta, Dhananjay Bhattacharyya, Abhijit Mitra

Physical Chemistry Chemical Physics, 17 , 26249-26263 (2015)

Links | BibTeX | Tags: publication

145.

Inclusion of methoxy groups inverts the thermodynamic stabilities of DNA–RNA hybrid duplexes: A molecular dynamics simulation study Journal Article

U. Deva Priyakumar

Gorle Suresh, U. Deva Priyakumar

Journal of Molecular Graphics and Modelling, 61 , 150-159 (2015)

Links | BibTeX | Tags: publication

146.

Nucleobases tagged to gold nanoclusters cause a mechanistic crossover in the oxidation of CO Journal Article

U. Deva Priyakumar

Sandhya Rai, Masahiro Ehara, U. Deva Priyakumar

Physical Chemistry Chemical Physics, 17 , 24275-24281 (2015)

Links | BibTeX | Tags: publication

147.

Double zipper helical assembly of deoxyoligonucleotides: mutual templating and chiral imprinting to form hybrid DNA ensembles Journal Article

U. Deva Priyakumar

Nagarjun Narayanaswamy, Gorle Suresh, U. Deva Priyakumar, T Govindaraju

Chemical Communications, 51 , 5493-5496 (2015)

Links | BibTeX | Tags: publication

148.

Functional characterization of drought-responsive modules and genes in Oryza sativa: a network-based approach Journal Article

Nita Parekh

Sanchari Sircar, Nita Parekh

Frontiers in genetics, 6 , 3389 (2015)

Links | BibTeX | Tags: publication

149.

Structure, Energetics, and Dynamics of Supercritical Carbon Dioxide at Smectite Mineral-Water Interfaces: Molecular Dynamics Modeling and Adaptive Force Investigation of CO2 … Journal Article

Marimuthu Krishnan

MM Sena, CP Morrow, RJ Kirkpatrick, Marimuthu Krishnan

Chem. Mater, 27 , 2256-3100 (2015)

Links | BibTeX | Tags: publication

150.

NMR and computational molecular modeling studies of mineral surfaces and interlayer galleries: A review Journal Article

Marimuthu Krishnan

R James Kirkpatrick, Andrey G Kalinichev, Geoffrey M Bowers, A Özgür Yazaydin, Marimuthu Krishnan, Moumita Saharay, Christin P Morrow

American Mineralogist, 100 , 1341–1354 (2015)

Links | BibTeX | Tags: publication

347 entries « 3 of 7 »