| Year |
Citation |
Score |
| 2023 |
Avula NVS, Klein ML, Balasubramanian S. Understanding the Anomalous Diffusion of Water in Aqueous Electrolytes Using Machine Learned Potentials. The Journal of Physical Chemistry Letters. 14: 9500-9507. PMID 37851540 DOI: 10.1021/acs.jpclett.3c02112 |
0.472 |
|
| 2021 |
Dongre AV, Das S, Bellur A, Kumar S, Chandrashekarmath A, Karmakar T, Balaram P, Balasubramanian S, Balaram H. Structural basis for the hyperthermostability of an archaeal enzyme induced by succinimide formation. Biophysical Journal. PMID 34302792 DOI: 10.1016/j.bpj.2021.07.014 |
0.701 |
|
| 2020 |
Mishra A, Korlepara DB, Balasubramanian S, George SJ. Bioinspired, ATP-driven co-operative supramolecular polymerization and its pathway dependence. Chemical Communications (Cambridge, England). PMID 31917382 DOI: 10.1039/C9Cc08790G |
0.526 |
|
| 2018 |
Avula NVS, Mondal A, Balasubramanian S. Charge Environment and Hydrogen Bond Dynamics in Binary Ionic Liquid Mixtures: A Computational Study. The Journal of Physical Chemistry Letters. PMID 29883123 DOI: 10.1021/Acs.Jpclett.8B01481 |
0.627 |
|
| 2018 |
Mishra A, Korlepara DB, Kumar M, Jain A, Jonnalagadda N, Bejagam KK, Balasubramanian S, George SJ. Biomimetic temporal self-assembly via fuel-driven controlled supramolecular polymerization. Nature Communications. 9: 1295. PMID 29602946 DOI: 10.1038/S41467-018-03542-Z |
0.514 |
|
| 2017 |
Hazra A, Jana S, Bonakala S, Balasubramanian S, Maji TK. Separation/purification of ethylene from an acetylene/ethylene mixture in a pillared-layer porous metal-organic framework. Chemical Communications (Cambridge, England). PMID 28267167 DOI: 10.1039/C7Cc00726D |
0.659 |
|
| 2016 |
Bejagam KK, Remsing RC, Klein ML, Balasubramanian S. Understanding the self-assembly of amino ester-based benzene-1,3,5-tricarboxamides using molecular dynamics simulations. Physical Chemistry Chemical Physics : Pccp. PMID 27901138 DOI: 10.1039/C6Cp06742E |
0.716 |
|
| 2016 |
Das S, Karmakar T, Balasubramanian S. Molecular Mechanism Behind Solvent Concentration Dependent Optimal Activity of Thermomyces Lanuginosus Lipase in Biocompatible Ionic Liquid: Interfacial Activation Through Arginine Switch. The Journal of Physical Chemistry. B. PMID 27779408 DOI: 10.1021/acs.jpcb.6b08534 |
0.693 |
|
| 2016 |
Karmakar T, Balasubramanian S. Molecular Dynamics and Free Energy Simulations of Phenylacetate and CO2 Release from AMDase and its G74C/C188S Mutant: A Possible Rationale for the Reduced Activity of the Latter. The Journal of Physical Chemistry. B. PMID 27775347 DOI: 10.1021/acs.jpcb.6b07034 |
0.697 |
|
| 2016 |
Kanoo P, Haldar R, Reddy SK, Hazra A, Bonakala S, Matsuda R, Kitagawa S, Balasubramanian S, Maji TK. Crystal Dynamics in Multi-stimuli-Responsive Entangled Metal-Organic Frameworks. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27611359 DOI: 10.1002/Chem.201602087 |
0.595 |
|
| 2016 |
Roy S, Karmakar T, Nagappa LK, Prahlada Rao VS, Balasubramanian S, Balaram H. Role of W181 in Modulating Kinetic Properties of Plasmodium falciparum Hypoxanthine Guanine Xanthine Phosphoribosyltransferase. Proteins. PMID 27479359 DOI: 10.1002/prot.25107 |
0.684 |
|
| 2016 |
Karmakar T, Roy S, Balaram H, Prakash MK, Balasubramanian S. Product Release Pathways in Human and Plasmodium falciparum Phosphoribosyltransferase. Journal of Chemical Information and Modeling. PMID 27404508 DOI: 10.1021/acs.jcim.6b00203 |
0.682 |
|
| 2016 |
Mondal A, Balasubramanian S. Understanding SO2 Capture by Ionic Liquids. The Journal of Physical Chemistry. B. PMID 27119562 DOI: 10.1021/Acs.Jpcb.6B02553 |
0.643 |
|
| 2015 |
Mondal A, Sunda AP, Balasubramanian S. Thermal phase behavior and ion hopping in a 1,2,4-triazolium perfluorobutanesulfonate protic organic ionic plastic crystal. Physical Chemistry Chemical Physics : Pccp. PMID 26687014 DOI: 10.1039/C5Cp05701A |
0.616 |
|
| 2015 |
Karmakar T, Roy S, Balaram H, Balasubramanian S. Structural and Dynamical Correlations in PfHGXPRT Oligomers: A Molecular Dynamics Simulation Study. Journal of Biomolecular Structure & Dynamics. 1-28. PMID 26441001 DOI: 10.1080/07391102.2015.1085441 |
0.702 |
|
| 2015 |
Narayan B, Bejagam KK, Balasubramanian S, George SJ. Autoresolution of Segregated and Mixed p-n Stacks by Stereoselective Supramolecular Polymerization in Solution. Angewandte Chemie (International Ed. in English). PMID 26333201 DOI: 10.1002/Anie.201506435 |
0.537 |
|
| 2015 |
Bejagam KK, Kulkarni C, George SJ, Balasubramanian S. External electric field reverses helical handedness of a supramolecular columnar stack. Chemical Communications (Cambridge, England). PMID 26324610 DOI: 10.1039/C5Cc05569E |
0.751 |
|
| 2015 |
Mondal A, Balasubramanian S. A Refined All-Atom Potential for Imidazolium-Based Room Temperature Ionic Liquids: Acetate, Dicyanamide, and Thiocyanate Anions. The Journal of Physical Chemistry. B. PMID 25905727 DOI: 10.1021/Acs.Jpcb.5B02272 |
0.622 |
|
| 2015 |
Roy S, Karmakar T, Prahlada Rao VS, Nagappa LK, Balasubramanian S, Balaram H. Slow ligand-induced conformational switch increases the catalytic rate in Plasmodium falciparum hypoxanthine guanine xanthine phosphoribosyltransferase. Molecular Biosystems. 11: 1410-24. PMID 25824378 DOI: 10.1039/c5mb00136f |
0.676 |
|
| 2015 |
Mondal A, Balasubramanian S. Vibrational signatures of cation-anion hydrogen bonding in ionic liquids: a periodic density functional theory and molecular dynamics study. The Journal of Physical Chemistry. B. 119: 1994-2002. PMID 25587624 DOI: 10.1021/Jp5113679 |
0.611 |
|
| 2015 |
Sunda AP, Mondal A, Balasubramanian S. Atomistic simulations of ammonium-based protic ionic liquids: steric effects on structure, low frequency vibrational modes and electrical conductivity. Physical Chemistry Chemical Physics : Pccp. 17: 4625-33. PMID 25585541 DOI: 10.1039/C4Cp05353B |
0.601 |
|
| 2015 |
Payal RS, Bejagam KK, Mondal A, Balasubramanian S. Dissolution of cellulose in room temperature ionic liquids: anion dependence. The Journal of Physical Chemistry. B. 119: 1654-9. PMID 25535797 DOI: 10.1021/Jp512240T |
0.645 |
|
| 2014 |
Payal RS, Balasubramanian S. Dissolution of cellulose in ionic liquids: an ab initio molecular dynamics simulation study. Physical Chemistry Chemical Physics : Pccp. 16: 17458-65. PMID 25012815 DOI: 10.1039/c4cp02219j |
0.323 |
|
| 2014 |
Bejagam KK, Fiorin G, Klein ML, Balasubramanian S. Supramolecular polymerization of benzene-1,3,5-tricarboxamide: a molecular dynamics simulation study. The Journal of Physical Chemistry. B. 118: 5218-28. PMID 24780060 DOI: 10.1021/jp502779z |
0.561 |
|
| 2014 |
Mondal A, Balasubramanian S. Quantitative prediction of physical properties of imidazolium based room temperature ionic liquids through determination of condensed phase site charges: a refined force field. The Journal of Physical Chemistry. B. 118: 3409-22. PMID 24605817 DOI: 10.1021/Jp500296X |
0.609 |
|
| 2014 |
Haldar R, Reddy SK, Suresh VM, Mohapatra S, Balasubramanian S, Maji TK. Flexible and rigid amine-functionalized microporous frameworks based on different secondary building units: supramolecular isomerism, selective CO(2) capture, and catalysis. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 4347-56. PMID 24590593 DOI: 10.1002/Chem.201303610 |
0.589 |
|
| 2014 |
Reddy SK, Balasubramanian S. Carbonic acid: molecule, crystal and aqueous solution. Chemical Communications (Cambridge, England). 50: 503-14. PMID 24282825 DOI: 10.1039/c3cc45174g |
0.626 |
|
| 2013 |
Karmakar T, Periyasamy G, Balasubramanian S. CO2 migration pathways in oxalate decarboxylase and clues about its active site. The Journal of Physical Chemistry. B. 117: 12451-60. PMID 24053484 DOI: 10.1021/jp4074834 |
0.691 |
|
| 2013 |
Hazra A, Bonakala S, Reddy SK, Balasubramanian S, Maji TK. Effect of pillar modules and their stoichiometry in 3D porous frameworks of Zn(II) with [Fe(CN)6]3-: high CO2/N2 and CO2/CH4 selectivity. Inorganic Chemistry. 52: 11385-97. PMID 24032436 DOI: 10.1021/Ic401657D |
0.572 |
|
| 2013 |
Kulkarni C, Balasubramanian S, George SJ. What molecular features govern the mechanism of supramolecular polymerization? Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 661-73. PMID 23255313 DOI: 10.1002/Cphc.201200801 |
0.738 |
|
| 2012 |
Reddy SK, Balasubramanian S. Liquid dimethyl carbonate: a quantum chemical and molecular dynamics study. The Journal of Physical Chemistry. B. 116: 14892-902. PMID 23198738 DOI: 10.1021/jp309374m |
0.644 |
|
| 2012 |
Kanoo P, Reddy SK, Kumari G, Haldar R, Narayana C, Balasubramanian S, Maji TK. Unusual room temperature CO2 uptake in a fluoro-functionalized MOF: insight from Raman spectroscopy and theoretical studies. Chemical Communications (Cambridge, England). 48: 8487-9. PMID 22806410 DOI: 10.1039/C2Cc34276F |
0.572 |
|
| 2012 |
Jayaramulu K, Reddy SK, Hazra A, Balasubramanian S, Maji TK. Three-dimensional metal-organic framework with highly polar pore surface: H2 and CO2 storage characteristics. Inorganic Chemistry. 51: 7103-11. PMID 22716229 DOI: 10.1021/Ic202601Y |
0.575 |
|
| 2012 |
Reddy SK, Kulkarni CH, Balasubramanian S. Vibrational spectra of linear oligomers of carbonic acid: a quantum chemical study. The Journal of Physical Chemistry. A. 116: 1638-47. PMID 22239118 DOI: 10.1021/jp209715x |
0.746 |
|
| 2011 |
Reddy SK, Kulkarni CH, Balasubramanian S. Theoretical investigations of candidate crystal structures for β-carbonic acid. The Journal of Chemical Physics. 134: 124511. PMID 21456680 DOI: 10.1063/1.3567307 |
0.767 |
|
| 2010 |
Sarangi SS, Zhao W, Müller-Plathe F, Balasubramanian S. Correlation between dynamic heterogeneity and local structure in a room-temperature ionic liquid: a molecular dynamics study of [bmim][PF(6)]. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 2001-10. PMID 20480488 DOI: 10.1002/cphc.201000111 |
0.313 |
|
| 2009 |
Balasubramanian S, Kohlmeyer A, Klein ML. Ab initio molecular dynamics study of supercritical carbon dioxide including dispersion corrections. The Journal of Chemical Physics. 131: 144506. PMID 19831451 DOI: 10.1063/1.3245962 |
0.53 |
|
| 2008 |
Bhargava BL, Balasubramanian S, Klein ML. Modelling room temperature ionic liquids. Chemical Communications (Cambridge, England). 3339-51. PMID 18633489 DOI: 10.1039/B805384G |
0.77 |
|
| 2008 |
Bhargava BL, Klein ML, Balasubramanian S. Structural correlations and charge ordering in a room-temperature ionic liquid. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 67-70. PMID 18098251 DOI: 10.1002/cphc.200700666 |
0.754 |
|
| 2007 |
Bhargava BL, Devane R, Klein ML, Balasubramanian S. Nanoscale organization in room temperature ionic liquids: a coarse grained molecular dynamics simulation study. Soft Matter. 3: 1395-1400. PMID 32900119 DOI: 10.1039/b710801j |
0.772 |
|
| 2005 |
Bandyopadhyay S, Chakraborty S, Balasubramanian S, Bagchi B. Sensitivity of polar solvation dynamics to the secondary structures of aqueous proteins and the role of surface exposure of the probe. Journal of the American Chemical Society. 127: 4071-5. PMID 15771544 DOI: 10.1021/Ja042847R |
0.518 |
|
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