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Journal Article
S. D. Reddy, Rajale, T. V., Shivakumar, K., and Iqbal, J., “Mild and efficient method for the synthesis of vinylogous carbamates from alkyl azides”, Tetrahedron Letters, vol. 46, no. 6, pp. 979-982, 2005.
S. P. Borikar, Daniel, T., and Paul, V., “Mild, efficient, and regioselective monobromination of arylamines and phenols using [BBIm]Br-3 as a new reagent”, Synthetic Communications, vol. 40, no. 5, p. PII 919083074, 2010.
S. S. Shinde, Said, M. S., Surwase, T. B., and Kumar, P., “Mild regiospecific alcoholysis and aminolysis of epoxides catalyzed by zirconium(IV) oxynitrate”, Tetrahedron Letters, vol. 56, no. 43, pp. 5916-5919, 2015.
S. K. Bisen, Niphadkar, P. S., Nandanwar, S. U., Simakova, I., and Bokade, V. V., “Milder operating parameters for one-step conversion of fructose to levulinic acid over sulfonated H-β zeolite in aqueous media”, Environmental Progress & Sustainable Energy, vol. 40, no. 1, p. e13530, 2021.
S. K. Bisen, Niphadkar, P. S., Nandanwar, S. U., Simakova, I., and Bokade, V. V., “Milder operating parameters for one-step conversion of fructose to levulinic acid over sulfonated H-beta zeolite in aqueous media”, Environmental Progress & Sustainable Energy, vol. 40, no. 1, p. e13530, 2021.
A. Tanwar, Pal, S., Roy, D. Ranjan, and Chattaraj, P. Kumar, “Minimum magnetizability principle”, Journal of Chemical Physics, vol. 125, no. 5, p. Article No. 056101, 2006.
S. Agarkar, Yadav, P., Fernandes, R., Kothari, D., Suryawanshi, A., and Ogale, S., “Minute-made activated porous carbon from agro-waste for Li-ion battery anode using a low power microwave oven”, Electrochimica ACTA, vol. 212, pp. 535-544, 2016.
B. Natarajan, Kalsi, H. S., Godbole, P., Malankar, N., Thiagarayaselvam, A., Siddappa, S., Thulasiram, H. V., Chakrabarti, S. K., and Banerjee, A. K., “MiRNA160 is associated with local defense and systemic acquired resistance against Phytophthora infestans infection in potato”, Journal of Experimental Botany, vol. 69, no. 8, pp. 2023-2036, 2018.
A. C. Wali, Naidu, B. V. K., Mallikarjuna, N. N., Sainkar, S. R., Halligudi, S. B., and Aminabhavi, T. M., “Miscibility of chitosan-hydroxyethylcellulose blends in aqueous acetic acid solutions at 35 degrees C”, Journal of Applied Polymer Science, vol. 96, no. 5, pp. 1996-1998, 2005.
A. Rana, Thakare, A., Kumar, N., Mukherjee, B., Torris, A., Das, B., Ogale, S., and Banerjee, A., “Mitigating dendrite formation on a Zn electrode in aqueous zinc chloride by the competitive surface chemistry of an imidazole additive”, ACS Applied Materials and Interfaces, vol. 15, no. 19, pp. 23093-23103, 2023.
A. Chandra, Deshpande, S., Shinde, D. B., Pillai, V. K., and Singh, N., “Mitigating the cytotoxicity of graphene quantum dots and enhancing their applications in bioimaging and drug delivery”, ACS Macro Letters, vol. 3, no. 10, pp. 1064-1068, 2014.
A. A. Betgiri, Jadhav, S. N., Pawde, M., Shukla, A., Mote, C., Pawar, P. D., Shanmugam, D., and Kundu, K., “Mitochondrial cytochrome oxidase C subunit III (cox3) gene as a sensitive and specific target for molecular detection of Babesia gibsoni infection in dogs”, Experimental Parasitology, vol. 206, p. 107771, 2019.
V. C. Pardeshi, Kadoo, N. Y., Sainani, M. N., Meadows, J. R. S., Kijas, J. W., and Gupta, V. S., “Mitochondrial haplotypes reveal a strong genetic structure for three Indian sheep breeds”, Animal Genetics, vol. 38, no. 5, pp. 460-466, 2007.
J. R. S. Meadows, Li, K., Kantanen, J., Tapio, M., Sipos, W., Pardeshi, V., Gupta, V., Calvo, J. H., Whan, V., Norris, B., and Kijas, J. W., “Mitochondrial sequence reveals high levels of gene flow between breeds of domestic sheep from Asia and Europe”, Journal of Heredity, vol. 96, no. 5, pp. 494-501, 2005.
K. C. Kumara Swamy, Kumar, N. N. Bhuvan, Balaraman, E., and Kumar, K. V. P. Pava, “Mitsunobu and related reactions: advances and applications”, Chemical Reviews, vol. 109, no. 6, pp. 2551–2651, 2009.
R. Parate, Mane, R., Dharne, M., and Rode, C., “Mixed bacterial culture mediated direct conversion of bio-glycerol to diols”, Bioresource Technology, vol. 250, pp. 86-93, 2018.
A. Jha, Patil, K. R., and Rode, C. V., “Mixed Co-Mn oxide-catalysed selective aerobic oxidation of vanillyl alcohol to vanillin in base-free conditions”, Chempluschem, vol. 78, no. 11, pp. 1384-1392, 2013.
S. Mehta, Agarwal, S., Kenge, N., Mekala, S. Prasad, Patil, V., Raja, T., and Joshi, K., “Mixed metal oxide: a new class of catalyst for methanol activation”, Applied Surface Science, vol. 534, p. 147449, 2020.
K. I. Shivakumar, Swathi, K., Goudappagouda,, Das, T. C., Kumar, A., Makde, R. D., Vanka, K., Narayan, K. S., Babu, S. Santhosh, and Sanjayan, G. J., “Mixed-stack charge transfer crystals of pillar[5]quinone and tetrathiafulvalene exhibiting ferroelectric features”, Chemistry- A European Journal , vol. 23, no. 51, 2017.
G. M. Mule and Kulkarni, A. A., “Mixing of medium viscosity liquids in a stirred tank with fractal impeller”, Theoretical Foundations of Chemical Engineering, vol. 50, no. 6, pp. 914-921, 2016.
M. V. Sardeshpande, Kumar, G., Aditya, T., and Ranade, V. V., “Mixing studies in unbaffled stirred tank reactor using electrical resistance tomography”, Flow Measurement and Instrumentation, vol. 47, pp. 110-121, 2016.
P. G. Bangar, Jawalkar, P. R., Dumbre, S. R., Raut, P. K., Patil, D. J., Tv, N., Sudhakaran, S., and Iyer, S., “Mizoroki-Heck reaction of 1,2-disubstituted aryl alkenes: variables of synthesis, solvent and ligand modulation of reactivity”, Synthetic Communications, vol. 50, no. 24, pp. 3796-3803, 2020.
R. A. Jagtap, Verma, S. K., and Punji, B., “MnBr2-catalyzed direct and site-selective alkylation of indoles and benzo[h]quinoline”, Organic Letters, vol. 22, no. 12, pp. 4643-4647, 2020.
A. Kumar Rath, Bhaumik, S., and Pal, A. J., “Mn-doped nanocrystals in light-emitting diodes: energy-transfer to obtain electroluminescence from quantum dots”, Applied Physics Letters, vol. 97, no. 11, p. Article number: 113502, 2010.
P. Sharma, Lazar, A., and Singh, A. P., “Mn(III) based binapthyl schiff base complex hetrogenized over organo-modified SBA-15: synthesis, characterization and catalytic application”, Applied Catalysis A-General, vol. 439, pp. 101-110, 2012.
A. M. Pandey, Agalave, S. G., Vinod, C. P., and Gnanaprakasam, B., “MnO2@Fe3O4 Magnetic Nanoparticles as Efficient and Recyclable Heterogeneous Catalyst for Benzylic sp(3) C-H Oxidation”, Chemistry-An Asian Journal, 2019.
M. Prabu, Manikandan, M., Samal, P. Paramita, Gurrala, L. Prasad, Mekala, S. Prasad, Archana, R., Nayak, C., Bhattacharyya, D., Jha, S. N., Krishnamurty, S., and Raja, T., “MnXWO4 nanostructure-based catalysts for single-step oxidation of cyclohexane and methane to oxygenates”, ACS Applied Nano Materials, vol. 6, no. 9, pp. 7245-7258, 2023.
S. Kumar Nandi, Bhattacharyya, S. Maitra, and Ramaswamy, S., “Mode-coupling glass transition in a fluid confined by a periodic potential”, Physical Review E, vol. 84, no. 6, p. 061501, 2011.
P. Raj Pandey and Roy, S., “Model atomistic protrusions favouring the ordering and retention of water”, Physical Chemistry Chemical Physics, vol. 16, no. 30, pp. 15856-15865, 2014.
T. Adit Maark and Pal, S., “Model study of effect of M = Li+, Na+, Be2+, Mg2+, and Al3+ ion decoration on hydrogen adsorption of metal-organic framework-5”, International Journal of Hydrogen Energy, vol. 35, no. 23, pp. 12846-12857, 2010.
A. Bhattacharya, “Modeling a continuous multistage liquid phase cyclohexane oxidation reactor network”, Chemical Engineering and Processing, vol. 44, no. 5, pp. 567-579, 2005.
A. A. Jain, Mehra, A., and Ranade, V. V., “Modeling and simulation of a fluidized bed gasifier”, ASIA-Pacific Journal of Chemical Engineering, vol. 13, no. 1, p. 2155, 2018.
Y. Kuen Ho, Doshi, P., Yeoh, H. Koon, and Ngoh, G. Cheng, “Modeling chain-end scission using the fixed pivot technique”, Chemical Engineering Science, vol. 116, pp. 601-610, 2014.
I. Kim, Chakrabarty, S., Brzezinski, P., and Warshel, A., “Modeling gating charge and voltage changes in response to charge separation in membrane proteins”, Proceedings of the National Academy of Sciences of the United States of America, vol. 111, no. 31, pp. 11353-11358, 2014.
D. V. Sharma, Patwardhan, A. W., and Ranade, V. V., “Modeling G-L-L-S reactor: a case of hydrogenation of nitrobenzene”, Industrial & Engineering Chemistry Research, vol. 56, no. 6, pp. 1404-1415, 2017.
A. V. Pandit and Ranade, V. V., “Modeling hysteresis during crystallization and dissolution: application to a paracetamol-ethanol system”, Industrial & Engineering Chemistry Research, vol. 54, no. 42, pp. 10364-10382, 2015.
R. P. Utikar, Harshe, Y. M., Mehra, A., and Ranade, V. V., “Modeling of a fluidized bed propylene polymerization reactor operated in condensed mode”, Journal of Applied Polymer Science, vol. 108, no. 4, pp. 2067-2076, 2008.
A. S. Chaudhari, Rampure, M. R., Ranade, V. V., Jaganathan, R., and Chaudhari, R. V., “Modeling of bubble column slurry reactor for reductive alkylation of p-phenylenediamine”, Chemical Engineering Science, vol. 62, no. 24, pp. 7290-7304, 2007.
A. V. Pandit, Kumar, A., G. Rao, S., Kedarnath, C., Srihari, R., and Ranade, V. V., “Modeling of liquid propellant combustion chamber”, Chemical Engineering Journal, vol. 207, pp. 151-166, 2012.
K. S. Mujumdar, Arora, A., and Ranade, V. V., “Modeling of rotary cement kilns: applications to reduction in energy consumption”, Industrial & Engineering Chemistry Research, vol. 45, no. 7, pp. 2315-2330, 2006.
Y. M. Harshe, Utikar, R. P., Ranade, V. V., and Pahwa, D., “Modeling of rotary desiccant wheels”, Chemical Engineering & Technology, vol. 28, no. 12, pp. 1473-1479, 2005.
S. V. Nayak, Joshi, S. L., and Ranade, V. V., “Modeling of vaporization and cracking of liquid oil injected in a gas-solid riser”, Chemical Engineering Science, vol. 60, no. 22, pp. 6049-6066, 2005.
A. Kumar Mandal, Pandey, R. Kishore, Asthana, N., Kulkarni, A., and Kulkarni, B. Dattatraya, “Modeling & simulation of micro reactor with nitration of 2-methyl-4,6 dihydroxy-pyrimidine”, Science and Technology of Energetic Materials, vol. 72, no. 1-2, pp. 9-20, 2011.
A. Sharma, Kumaraswamy, G., and Thakre, S., “Modeling the universal viscoelastic response of polymer fibers”, Physical Review Materials, vol. 2, no. 6, p. 062601, 2018.
A. Raghunathan and Athale, C. A., “Modelling natural and synthetic biological networks”, Current Science, vol. 113, no. 7, pp. 1221-1222, 2017.
R. Pandey and Lele, A., “Modelling of water-to-gas hollow fiber membrane humidifier”, Chemical Engineering Science , vol. 192, pp. 955-971, 2018.
S. H. Chikkali, Anand, V. G., Srinivas, D., and Kumbhar, A. S., “Modern trends in inorganic chemistry: celebration of inorganic chemistry in India”, Journal of Chemical Sciences, vol. 130, no. 7, p. Article Number: UNSP 75, 2018.
S. M. Loya-Mancilla, Poddar, P., Das, R., Ponce, H. E. Esparza, Templeton-Olivares, I. L., Solis-Canto, O. O., Ornelas-Gutierrez, C. E., Espinosa-Magaa, F., and Olive-Mendez, S. F., “Modification of crystal anisotropy and enhancement of magnetic moment of Co-doped SnO2 thin films annealed under magnetic field”, Nanoscale Research Letters, vol. 9, no. 1, p. 635, 2014.
P. Sengupta, Surwase, S. S., and Prasad, B. L., “Modification of porous polyethylene scaffolds for cell attachment and proliferation”, International journal of nanomedicine, vol. 13, pp. 87-90, 2018.
B. Kaur, Bhat, M., Licci, F., Kumar, R., Kulkarni, S. D., Joy, P. Alias, Bamzai, K. K., and Kotru, P. N., “Modifications in magnetic anisotropy of M-type strontium hexaferrite crystals by swift heavy ion irradiation”, Journal of Magnetism and Magnetic Materials, vol. 305, no. 2, pp. 392-402, 2006.
V. A. Kumar, “Modified nucleic acid substructures in medicinal chemistry and drug development”, Current Topics in Medicinal Chemistry, vol. 7, no. 7, p. 639, 2007.
M. Rao Banki, Tathavadekar, M., Chunchu, V., and Roy, S. C., “Modified photo-electrochemical and photo-voltaic properties of solvothermally crystallised TiO2 nanotube arrays”, Journal of Materials Science-Materials in Electronics, vol. 27, no. 12, pp. 12427-12437, 2016.
A. Kumbhar, Kamble, S., Mane, A., Jha, R. Kumar, and Salunkhe, R., “Modified zeolite immobilized palladium for ligand-free suzuki-miyaura cross-coupling reaction”, Journal of Organometallic Chemistry, vol. 738, pp. 29-34, 2013.
S. Rayavarapu, Kheria, S., Shinde, D. R., Gonnade, R. G., and Sanjayan, G. J., “Modular approach towards functionalized highly stable self-complementary quadruple hydrogen bonded systems”, Organic & Biomolecular Chemistry, vol. 15, no. 47, pp. 10087-10094, 2017.
S. Tothadi, Little, M. A., Hasell, T., Briggs, M. E., Chong, S. Y., Liu, M., and Cooper, A. I., “Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal”, CrystEngComm, vol. 19, no. 33, 2017.
C. Singh, Rathod, J., Jha, V., Panossian, A., Kumar, P., and Leroux, F. R., “Modular synthesis of biaryl-substituted phosphine ligands: application in microwave-assisted palladium-catalyzed C-N cross-coupling reactions”, European Journal of Organic Chemistry, no. 29, pp. 6515-6525, 2015.
S. K. Ramanathan, Keeler, J., Lee, H. L., D. Reddy, S., Lushington, G., and Aube, J., “Modular synthesis of cyclic peptidomimetics inspired by gamma-turns”, Organic Letters, vol. 7, no. 6, pp. 1059-1062, 2005.
D. Gueclue, Rale, M., and Fessner, W. - D., “Modular synthesis of dihydroxyacetone monoalkyl ethers and isosteric 1-hydroxy-2-alkanones”, European Journal of Organic Chemistry, no. 13, pp. 2960-2964, 2015.
C. V. Ramana and Pandey, S. Kumar, “Modular total synthesis of aculeatins A, B, E, F and 6-epi-aculeatins E, F”, Tetrahedron, vol. 66, no. 1, pp. 390-399, 2010.
N. B. Reddy and Ramana, C. V., “Modular total synthesis of (+/-)-trigonoliimine C”, Chemical Communications, vol. 49, no. 84, pp. 9767-9769, 2013.
R. Bisht, Singh, S., Krishnamoorthy, K., and Nithyanandhan, J., “Modulated photochemical reactivities of O-acetylated (3', 5'-dimethoxyphenyl) heteroaryl acyloin derivatives under direct irradiation and photo-induced electron transfer conditions”, Photochemical & Photobiological Sciences, vol. 17, no. 6, pp. 835-845, 2018.
P. Sher, Ingavle, G. C., Ponrathnam, S., Poddar, P., and Pawar, A. P., “Modulation and optimization of drug release from uncoated low density porous carrier based delivery system”, AAPS Pharmscitech, vol. 10, no. 2, pp. 547-558, 2009.
R. R. Jadhav, Camaioni, N., Oppelt, K., Tinti, F., Gazzano, M., Fattori, V., Wadgaonkar, P. P., Rathgeber, S., Hoppe, H., and Egbe, D. A. M., “Modulation of charge carrier mobility by side-chain engineering of bi(thienylenevinylene)thiophene containing PPE-PPVs”, RSC Advances, vol. 6, no. 57, pp. 51642-51648, 2016.
P. Khandelwal, Singh, D. K., Sadhu, S., and Poddar, P., “Modulation of reaction kinetics for the tuneable synthesis of gold nanoparticles and quantum clusters: application of gold quantum clusters as ``turn-off'' sensing probe for Sn4+ ions”, ChemPlusChem, vol. 79, no. 1, pp. 134-142, 2014.
N. Karjule, Sharma, M. K., Nithyanandhan, J., and Kulkarni, A., “Modulation of reactivity of singlet radical pair in continuous flow: photo-fries rearrangement”, Journal of Photochemistry and Photobiology A: Chemistry, vol. 364, pp. 316-321, 2018.
A. Banerjee, Gokhale, R., Bhatnagar, S., Jog, J. Prakash, Bhardwaj, M., Lefez, B., Hannoyer, B., and Ogale, S. B., “MOF derived porous carbon-Fe3O4 nanocomposite as a high performance, recyclable environmental superadsorbent”, Journal of Materials Chemistry, vol. 22, no. 37, pp. 19694-19699, 2012.
S. Salunke-Gawali, Kathawate, L., and Puranik, V. G., “MOF with hydroxynaphthoquinone as organic linker: molecular structure of [Zn(Chlorolawsone)(2)(H2O)(2)] and thermogravimetric studies”, Journal of Molecular Structure, vol. 1022, pp. 189-196, 2012.
A. Banerjee, Upadhyay, K. Kumar, Puthusseri, D., Aravindan, V., Madhavi, S., and Ogale, S., “MOF-derived crumpled-sheet-assembled perforated carbon cuboids as highly effective cathode active materials for ultra-high energy density Li-ion hybrid electrochemical capacitors (Li-HECs)”, Nanoscale, vol. 6, no. 8, pp. 4387-4394, 2014.
M. Ahmad Dar and Krishnamurty, S., “Molecular and dissociative adsorption of oxygen on au-pd bimetallic clusters: role of composition and spin state of the cluster”, Acs Omega, vol. 4, no. 7, pp. 12687-12695, 2019.
D. B. Salunke, Hazra, B. G., Gonnade, R. G., Pore, V. S., and Bhadbhade, M. M., “Molecular association via halogen bonding and other weak interactions in the crystal structures of 11-bromo-12-oxo-5 beta-cholan derivatives”, Journal of Molecular Structure, vol. 892, no. 1-3, pp. 246-253, 2008.
N. Sinha, Chowdhury, S., and Sarkar, R. Rup, “Molecular basis of drug resistance in smoothened receptor: an in silico study of protein resistivity and specificity”, Proteins-Structure Function and Bioinformatics, 2019.
K. Thirunavukkarasu, Thirumoorthy, K., Libuda, J., and Gopinath, C. S., “Molecular beam study of the NO plus CO reaction on Pd(111) surfaces”, Journal of Physical Chemistry B, vol. 109, no. 27, pp. 13272-13282, 2005.
R. K. Vishwakarma, Sonawane, P., Singh, S., Kumari, U., Ruby,, and Khan, B. Mohammad, “Molecular characterization and differential expression studies of an oxidosqualene cyclase (OSC) gene of Brahmi (Bacopa monniera)”, Physiology and Molecular Biology of Plants, vol. 19, no. 4, pp. 547-553, 2013.
N. Gujar, ,, Joshi, R. S., and Joshi, M., “Molecular characterization of the beta(2)-like octopamine receptor of helicoverpa armigera”, Journal of Membrane Biology, vol. 254, no. 3, 2021.
Ruby, Kumar, R. J. Santosh, Vishwakarma, R. K., Singh, S., and Khan, B. Mohammad, “Molecular cloning and characterization of genistein 4'-O-glucoside specific glycosyltransferase from Bacopa monniera”, Molecular Biology Reports, vol. 41, no. 7, pp. 4675-4688, 2014.
H. G. Chidley, Oak, P. S., Deshpande, A. B., Pujari, K. H., Giri, A. P., and Gupta, V. S., “Molecular cloning and characterization of O-methyltransferase from mango fruit (mangifera indica cv. alphonso)”, Molecular Biotechnology, vol. 58, no. 5, pp. 340-350, 2016.
E. Shukla, Thorat, L., Bhavnani, V., Bendre, A. D., Pal, J. K., Nath, B. B., and Gaikwad, S. M., “Molecular cloning and in silico studies of physiologically significant trehalase from drosophila melanogaster”, International Journal of Biological Macromolecules, vol. 92, pp. 282-292, 2016.
R. K. Vishwakarma, Ruby,, Singh, S., Sonawane, P. D., Srivastava, S., Kumari, U., Kumar, R. J. Santosh, and Khan, B. Mohammad, “Molecular cloning, biochemical characterization, and differential expression of an acetyl-CoA C-acetyltransferase gene (AACT) of brahmi (Bacopa monniera)”, Plant Molecular Biology Reporter, vol. 31, no. 3, pp. 547-557, 2013.
V. Vathipadiekal, Umasankar, P. K., Patole, M. S., and Rao, M., “Molecular cloning, over expression, and activity studies of a peptidic HIV-1 protease inhibitor: designed synthetic gene to functional recombinant peptide”, Peptides, vol. 31, no. 1, pp. 16-21, 2010.
N. Vijay Gorantla, Landge, V. G., Nagaraju, P. Gudigenaha, Priyadarshini, P. C. G., Balaraman, E., and Chinnathambi, S., “Molecular cobalt(II) complexes for tau polymerization in Alzheimer's disease”, ACS Omega , vol. 4, no. 16, pp. 16702-16714, 2019.
N. Karjule, Kavungathodi, M. Fairoos Me, and Nithyanandhan, J., “Molecular control of the band edge movement and the recombination process in donor-acceptor hemicyanine-sensitized solar cells”, Journal of Physical Chemistry C, vol. 121, no. 40, pp. 21836-21847, 2017.
A. S. Rane, Joshi, R. S., and Giri, A. P., “Molecular determinant for specificity: differential interaction of alpha-amylases with their proteinaceous inhibitors”, Biochimica Et Biophysica Acta-General Subjects, vol. 1864, no. 12, p. 129703, 2020.
I. G. Shibi, Aswathy, L., Jisha, R. S., Masand, V. H., Divyachandran, A., and Gajbhiye, J. M., “Molecular docking and QSAR analyses for understanding the antimalarial activity of some 7-substituted-4-aminoquinoline derivatives”, European Journal of Pharmaceutical Sciences, vol. 77, pp. 9-23, 2015.
R. A. Kalgaonkar and Jog, J. Prakash, “Molecular dynamics of copolyester/clay nanocomposites as investigated by viscoelastic and dielectric analysis”, Journal of Polymer Science Part B-Polymer Physics, vol. 46, no. 23, pp. 2539-2555, 2008.
N. Choudhary, Kushwaha, O. Singh, Bhattacharjee, G., Chakrabarty, S., and Kumar, R., “Molecular dynamics simulation and experimental study on the growth of methane hydrate in presence of methanol and sodium chloride”, Energy Procedia, vol. 105, pp. 5026-5033, 2017.
S. Pahari, Choudhury, C. Kumar, Pandey, P. Raj, More, M., Venkatnathan, A., and Roy, S., “Molecular dynamics simulation of phosphoric acid doped monomer of polybenzimidazole: a potential component polymer electrolyte membrane of fuel cell”, Journal of Physical Chemistry B, vol. 116, no. 24, pp. 7357-7366, 2012.
J. C. Jose and Sengupta, N., “Molecular dynamics simulation studies of the structural response of an isolated A beta(1-42) monomer localized in the vicinity of the hydrophilic TiO2 surface”, European Biophysics Journal, vol. 42, no. 6, pp. 487-494, 2013.
D. Sengupta and Chattopadhyay, A., “Molecular dynamics simulations of GPCR-cholesterol interaction: an emerging paradigm”, Biochimica Et Biophysica Acta-Biomembranes, vol. 1848, no. 9, pp. 1775-1782, 2015.
D. Berthomieu, Krishnamurty, S., Heine, T., and Goursot, A., “Molecular dynamics simulations of H2O with sites of Cu-I-FAU and Cu-II-FAU”, Studies in surface science and catalysis , vol. 158, pp. 655-662, 2005.
S. Das, Baghel, V. Singh, Roy, S., and Kumar, R., “Molecular dynamics study of model SI clathrate hydrates: the effect of guest size and guest-water interaction on decomposition kinetics”, Physical Chemistry Chemical Physics, vol. 17, no. 14, pp. 9509-9518, 2015.
P. Nakate, Ghosh, B., Das, S., Roy, S., and Kumar, R., “Molecular dynamics study on growth of carbon dioxide and methane hydrate from a seed crystal”, Chinese Journal of Chemical Engineering, vol. 27, no. 9, pp. 2074-2080, 2019.
D. Theis, Khait, Y. G., Pal, S., and Hoffmann, M. R., “Molecular electric dipole moments using the GVVPT2 variant of multireference perturbation theory”, Chemical Physics Letters, vol. 487, no. 1-3, pp. 116-121, 2010.
D. Ghosh, Bansode, S., Joshi, R., Kolte, B., and Gacche, R., “Molecular elucidation of pancreatic elastase inhibition by baicalein”, Journal of Biomolecular Structure & Dynamics, vol. 40, no. 13, pp. 5759-5768, 2022.
D. Chand, Avinash, V. S., Yadav, Y., Pundle, A. V., Suresh, C. G., and Ramasamy, S., “Molecular features of bile salt hydrolases and relevance in human health”, Biochimica et Biophysica Acta - General Subjects, vol. 1861, no. 1, pp. 2981-2991, 2017.
S. Kumari, Panda, C., Mazumdar, S., and Gupta, S. Sen, “Molecular Fe-complex as a catalyst probe for in-gel visual detection of proteins via signal amplification”, Chemical Communications, vol. 51, no. 83, pp. 15257-15260, 2015.
M. Elangovan, Rai, R., Dholakia, B. B., Lagu, M. D., Tiwari, R., Gupta, R. K., Rao, V. S., Roeder, M. S., and Gupta, V. S., “Molecular genetic mapping of quantitative trait loci associated with loaf volume in hexaploid wheat (Triticum aestivum)”, Journal of Cereal Science, vol. 47, no. 3, pp. 587-598, 2008.
P. Ganguly, “Molecular geometry from molecular tensegrity: a case study of gas-phase MX2 compounds”, Current Science, vol. 90, no. 9, pp. 1251-1253, 2006.
V. V. Dawkar, Chikate, Y. R., Lomate, P. R., Dholakia, B. B., Gupta, V. S., and Giri, A. P., “Molecular insights into resistance mechanisms of lepidopteran insect pests against toxicants”, Journal of Proteome Research, vol. 12, no. 11, pp. 4727-4737, 2013.
G. Shahane, Parsania, C., Sengupta, D., and Joshi, M., “Molecular Insights into the dynamics of pharmacogenetically important N-terminal variants of the human beta(2)-adrenergic receptor”, Plos Computational Biology, vol. 10, no. 12, p. e1004006, 2014.
A. Mastan, Rane, D., Dastager, S. G., and Babu, C. S. Vivek, “Molecular insights of fungal endophyte co-inoculation with Trichoderma viride for the augmentation of forskolin biosynthesis in Coleus forskohlii”, Phytochemistry, vol. 184, p. 112654, 2021.

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