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Tejender S. Thakur, Ph.D. - Publications

Affiliations: 
2011- Molecular and Structural Biology CSIR-Central Drug Research Institute 
Area:
Crystal Engineering, Computational Chemistry, X-ray Crystallography
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36 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Dash SG, Thakur TS. Cationcation hydrogen bonds in synephrine salts: a typical interaction in an unusual environment. Physical Chemistry Chemical Physics : Pccp. 21: 20647-20660. PMID 31506659 DOI: 10.1039/C9Cp03164B  0.387
2019 Dash SG, Singh SS, Thakur TS. Structural Landscape-Guided Exploration of a New Polymorph of 4-Nitrobenzoic Acid Crystal Growth & Design. 19: 952-958. DOI: 10.1021/Acs.Cgd.8B01509  0.437
2018 Rajbongshi T, Sarmah KK, Sarkar A, Ganduri R, Cherukuvada S, Thakur TS, Thakuria R. Preparation of Pyrazinamide Eutectics versus Cocrystals Based on Supramolecular Synthon Variations Crystal Growth & Design. 18: 6640-6651. DOI: 10.1021/Acs.Cgd.8B00878  0.328
2018 Mehta BK, Singh SS, Chaturvedi S, Wahajuddin M, Thakur TS. Rational Coformer Selection and the Development of New Crystalline Multicomponent Forms of Resveratrol with Enhanced Water Solubility Crystal Growth & Design. 18: 1581-1592. DOI: 10.1021/Acs.Cgd.7B01537  0.318
2016 Singh SS, Vasantha KY, Sattur AP, Thakur TS. Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger Crystengcomm. 18: 1740-1751. DOI: 10.1039/C5Ce02572A  0.441
2015 Thakur TS, Dubey R, Desiraju GR. Intermolecular atom-atom bonds in crystals - a chemical perspective. Iucrj. 2: 159-60. PMID 25866650 DOI: 10.1107/S205225251500189X  0.554
2015 Thakur TS, Dubey R, Desiraju GR. Crystal structure and prediction. Annual Review of Physical Chemistry. 66: 21-42. PMID 25422850 DOI: 10.1146/Annurev-Physchem-040214-121452  0.614
2015 Thakur TS, Singh SS. Studying the Role of C═O···C═O, C═O···N–O, and N–O···N–O Dipole–Dipole Interactions in the Crystal Packing of 4-Nitrobenzoic Acid and 3,3′-Dinitrobenzophenone Polymorphs: An Experimental Charge Density Study Crystal Growth & Design. 15: 3280-3292. DOI: 10.1021/Acs.Cgd.5B00408  0.39
2014 Singh SS, Thakur TS. New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form Crystengcomm. 16: 4215. DOI: 10.1039/C4Ce00263F  0.461
2013 Shigemitsu H, Hisaki I, Kometani E, Yasumiya D, Sakamoto Y, Osaka K, Thakur TS, Saeki A, Seki S, Kimura F, Kimura T, Tohnai N, Miyata M. Crystalline supramolecular nanofibers based on dehydrobenzoannulene derivatives. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 15366-77. PMID 24115390 DOI: 10.1002/Chem.201301967  0.314
2012 Tothadi S, Bhogala BR, Gorantla AR, Thakur TS, Jetti RK, Desiraju GR. Triclabendazole: an intriguing case of co-existence of conformational and tautomeric polymorphism. Chemistry, An Asian Journal. 7: 330-42. PMID 22147668 DOI: 10.1002/Asia.201100638  0.592
2012 Chakraborty S, Dubey R, Joseph S, Mishra MK, Mukherjee A, Siddiqui KA, Tothadi S, Thakur TS, Varughese S. Crystal engineering in the Desiraju research group in Bangalore Crystal Growth and Design. 12: 4688-4691. DOI: 10.1021/Cg300749A  0.614
2012 Aitipamula S, Banerjee R, Bansal AK, Biradha K, Cheney ML, Choudhury AR, Desiraju GR, Dikundwar AG, Dubey R, Duggirala N, Ghogale PP, Ghosh S, Goswami PK, Goud NR, Jetti RKR, ... ... Thakur TS, et al. Correction for Polymorphs, Salts and Cocrystals: What’s in a Name? Crystal Growth & Design. 12: 4290-4291. DOI: 10.1021/Cg300704B  0.65
2012 Aitipamula S, Banerjee R, Bansal AK, Biradha K, Cheney ML, Choudhury AR, Desiraju GR, Dikundwar AG, Dubey R, Duggirala N, Ghogale PP, Ghosh S, Goswami PK, Goud NR, Jetti RRKR, ... ... Thakur TS, et al. Polymorphs, salts, and cocrystals: What's in a name? Crystal Growth and Design. 12: 2147-2152. DOI: 10.1021/Cg3002948  0.683
2011 Bardwell DA, Adjiman CS, Arnautova YA, Bartashevich E, Boerrigter SX, Braun DE, Cruz-Cabeza AJ, Day GM, Della Valle RG, Desiraju GR, van Eijck BP, Facelli JC, Ferraro MB, Grillo D, Habgood M, ... ... Thakur TS, et al. Towards crystal structure prediction of complex organic compounds--a report on the fifth blind test. Acta Crystallographica. Section B, Structural Science. 67: 535-51. PMID 22101543 DOI: 10.1107/S0108768111042868  0.567
2011 Kirchner MT, Bläser D, Boese R, Thakur TS, Desiraju GR. Weak C-H···O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde. Acta Crystallographica. Section C, Crystal Structure Communications. 67: o387-90. PMID 21979973 DOI: 10.1107/S0108270111035840  0.574
2011 Hathwar VR, Thakur TS, Dubey R, Pavan MS, Row TN, Desiraju GR. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The Journal of Physical Chemistry. A. 115: 12852-63. PMID 21809890 DOI: 10.1021/Jp2039866  0.517
2011 Thakur TS, Kirchner MT, Bläser D, Boese R, Desiraju GR. Nature and strength of C-H···O interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes. Physical Chemistry Chemical Physics : Pccp. 13: 14076-91. PMID 21475764 DOI: 10.1039/C0Cp02236E  0.621
2011 Tothadi S, Jetti RKR, Bhogala BR, Gorantla AR, Thakur TS, Desiraju GR. Tautomeric polymorphism in triclabendazole Acta Crystallographica Section a Foundations of Crystallography. 67: C373-C373. DOI: 10.1107/S0108767311090611  0.507
2011 Thakur TS, Grobelny P, Mukherjee A, Desiraju GR. High throughput crystallization of orcinol with various N-acceptor coformers: an alternative approach for exploring the structural landscape Acta Crystallographica Section a Foundations of Crystallography. 67: C558-C559. DOI: 10.1107/S0108767311085862  0.398
2011 Mukherjee A, Grobelny P, Thakur TS, Desiraju GR. Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography Crystal Growth & Design. 11: 2637-2653. DOI: 10.1021/Cg200361X  0.479
2011 Hathwar VR, Thakur TS, Row TNG, Desiraju GR. Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering Crystal Growth & Design. 11: 616-623. DOI: 10.1021/Cg101540Y  0.519
2010 Ranganathan S, Mahapatra S, Thakur TS, Desiraju GR. Quinoxaline: Z' = 1 form. Acta Crystallographica. Section E, Structure Reports Online. 66: o2789. PMID 21588986 DOI: 10.1107/S1600536810039905  0.592
2010 Thakur TS, Kirchner MT, Bläser D, Boese R, Desiraju GR. C–H⋯F–C hydrogen bonding in 1,2,3,5-tetrafluorobenzene and other fluoroaromatic compounds and the crystal structure of alloxan revisited Crystengcomm. 12: 2079. DOI: 10.1039/B925082D  0.599
2010 Thakur TS, Sathishkumar R, Dikundwar AG, Guru Row TN, Desiraju GR. Third Polymorph of Phenylacetylene Crystal Growth & Design. 10: 4246-4249. DOI: 10.1021/Cg101076K  0.413
2010 Mahapatra S, Thakur TS, Joseph S, Varughese S, Desiraju GR. New Solid State Forms of the Anti-HIV Drug Efavirenz. Conformational Flexibility and HighZ′Issues Crystal Growth & Design. 10: 3191-3202. DOI: 10.1021/Cg100342K  0.658
2009 Kirchner MT, Bläser D, Boese R, Thakur TS, Desiraju GR. 1,2,3-Trifluoro-benzene. Acta Crystallographica. Section E, Structure Reports Online. 65: o2670. PMID 21578279 DOI: 10.1107/S1600536809038975  0.589
2009 Kirchner MT, Bläser D, Boese R, Thakur TS, Desiraju GR. 1,3-Difluoro-benzene. Acta Crystallographica. Section E, Structure Reports Online. 65: o2668-9. PMID 21578278 DOI: 10.1107/S1600536809038987  0.557
2009 Gupta RK, Thakur TS, Desiraju GR, Tyagi JS. Structure-based design of DevR inhibitor active against nonreplicating Mycobacterium tuberculosis. Journal of Medicinal Chemistry. 52: 6324-34. PMID 19827833 DOI: 10.1021/Jm900358Q  0.497
2009 Day GM, Cooper TG, Cruz-Cabeza AJ, Hejczyk KE, Ammon HL, Boerrigter SX, Tan JS, Della Valle RG, Venuti E, Jose J, Gadre SR, Desiraju GR, Thakur TS, van Eijck BP, Facelli JC, et al. Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test. Acta Crystallographica. Section B, Structural Science. 65: 107-25. PMID 19299868 DOI: 10.1107/S0108768109004066  0.604
2008 Bhatt PM, Azim Y, Thakur TS, Desiraju GR. Co-Crystals of the Anti-HIV Drugs Lamivudine and Zidovudine Crystal Growth & Design. 9: 951-957. DOI: 10.1021/Cg8007359  0.418
2008 Thakur TS, Desiraju GR. Crystal Structure Prediction of a Co-Crystal Using a Supramolecular Synthon Approach: 2-Methylbenzoic Acid−2-Amino-4-methylpyrimidine Crystal Growth & Design. 8: 4031-4044. DOI: 10.1021/Cg800371J  0.446
2007 Thakur TS, Desiraju GR. Theoretical investigation of C–H⋯M interactions in organometallic complexes: A natural bond orbital (NBO) study Journal of Molecular Structure: Theochem. 810: 143-154. DOI: 10.1016/J.Theochem.2007.02.012  0.53
2006 Munshi P, Thakur TS, Guru Row TN, Desiraju GR. Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study. Acta Crystallographica. Section B, Structural Science. 62: 118-27. PMID 16434799 DOI: 10.1107/S0108768105033689  0.566
2006 Thakur TS, Desiraju GR. Misassigned C-H...Cu agostic interaction in a copper(II) ephedrine derivative is actually a weak, multicentred hydrogen bond. Chemical Communications (Cambridge, England). 552-4. PMID 16432580 DOI: 10.1039/B514427B  0.538
2004 Jetti RK, Boese R, Thakur TS, Vangala VR, Desiraju GR. Proton transfer and N(+)-H...S(-) hydrogen bonds in the crystal structure of 4-aminothiophenol. Chemical Communications (Cambridge, England). 2526-7. PMID 15543262 DOI: 10.1039/B407319C  0.595
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