Year |
Citation |
Score |
2022 |
Rahman S, Rajak K, Mishra S, Das AK. Identification of potential inhibitors against FemX of Staphylococcus aureus: A hierarchial in-silico drug repurposing approach. Journal of Molecular Graphics & Modelling. 115: 108215. PMID 35636337 DOI: 10.1016/j.jmgm.2022.108215 |
0.647 |
|
2020 |
Saha Roy S, Roy Chowdhury S, Mishra S, Patra SK. Role of Substituents at 3-position of Thienylethynyl Spacer on Electronic Properties in Diruthenium(II) Organometallic Wire-like Complexes. Chemistry, An Asian Journal. PMID 32790947 DOI: 10.1002/Asia.202000755 |
0.31 |
|
2020 |
Mishra VK, Mishra S. Flipped regiospecificity in L434F mutant of 8-lipoxygenase. Physical Chemistry Chemical Physics : Pccp. PMID 32632422 DOI: 10.1039/D0Cp02351E |
0.313 |
|
2019 |
Manna S, Mishra S. Correlation effects in the photoelectron spectrum and photoionization dynamics of OsO. Physical Chemistry Chemical Physics : Pccp. PMID 31822879 DOI: 10.1039/C9Cp05062K |
0.406 |
|
2019 |
Roy Chowdhury S, Mishra S. Light-Induced Spin Crossover in an Intermediate-Spin Penta-Coordinated Iron(III) Complex. The Journal of Physical Chemistry. A. PMID 31663743 DOI: 10.1021/Acs.Jpca.9B06490 |
0.366 |
|
2019 |
Poluyanov LV, Domcke W, Mishra S. Spin-orbit vibronic coupling in Π4 states of linear triatomic molecules. The Journal of Chemical Physics. 151: 134103. PMID 31594344 DOI: 10.1063/1.5119774 |
0.521 |
|
2019 |
Sil A, Ghosh U, Mishra VK, Mishra S, Patra SK. Synthesis, Structure, Electrochemical, and Spectroscopic Properties of Hetero-Bimetallic Ru(II)/Fe(II)-Alkynyl Organometallic Complexes. Inorganic Chemistry. PMID 30614701 DOI: 10.1021/Acs.Inorgchem.8B02440 |
0.31 |
|
2018 |
Roy Chowdhury S, Mishra S. investigation of magnetic anisotropy in intermediate spin iron(iii) complexes. The Journal of Chemical Physics. 149: 234302. PMID 30579306 DOI: 10.1063/1.5050037 |
0.391 |
|
2018 |
Manna S, Mishra S. Vibronic structure and photoelectron angular distribution in the photoelectron spectrum of ICN. The Journal of Chemical Physics. 149: 204308. PMID 30501231 DOI: 10.1063/1.5050461 |
0.344 |
|
2018 |
Dutta D, Mishra S. L-Captopril and its derivatives as potential inhibitors of microbial enzyme DapE: A combined approach of drug repurposing and similarity screening. Journal of Molecular Graphics & Modelling. 84: 82-89. PMID 29936366 DOI: 10.1016/J.Jmgm.2018.06.004 |
0.538 |
|
2018 |
Chowdhury SR, Manna S, Mishra S. Electronic structure and photoelectron spectroscopy of manganese dihalides from quantum chemical methods and Dyson orbitals Chemical Physics. 515: 513-520. DOI: 10.1016/J.Chemphys.2018.09.040 |
0.423 |
|
2017 |
Dutta D, Mishra S. Active Site Dynamics in the Substrate Hydrolysis Catalyzed by DapE Enzyme and Its Mutants from Hybrid QM/MM Molecular Dynamics Simulation. The Journal of Physical Chemistry. B. PMID 28664734 DOI: 10.1021/Acs.Jpcb.7B04431 |
0.571 |
|
2017 |
Chowdhury SR, Mishra S. Heavy ligand atom induced large magnetic anisotropy in Mn(ii) complexes. Physical Chemistry Chemical Physics : Pccp. PMID 28630970 DOI: 10.1039/C7Cp02957H |
0.352 |
|
2017 |
Roy Chowdhury S, Mishra S. Large Magnetic Anisotropy in Linear CoIIComplexes - Ab Initio Investigation of the Roles of Ligand Field, Structural Distortion, and Conformational Dynamics European Journal of Inorganic Chemistry. 2017: 659-668. DOI: 10.1002/Ejic.201601192 |
0.352 |
|
2016 |
Dutta D, Mishra S. Loss of Catalytic Activity in the E134D, H67A, and H349A Mutants of DapE: Mechanistic Analysis with QM/MM Investigation. The Journal of Physical Chemistry. B. PMID 27783518 DOI: 10.1021/Acs.Jpcb.6B07446 |
0.559 |
|
2016 |
Ben Halima S, Mishra S, Raja KM, Willem M, Baici A, Simons K, Brüstle O, Koch P, Haass C, Caflisch A, Rajendran L. Specific Inhibition of β-Secretase Processing of the Alzheimer Disease Amyloid Precursor Protein. Cell Reports. 14: 2127-41. PMID 26923602 DOI: 10.1016/J.Celrep.2016.01.076 |
0.4 |
|
2016 |
Manna S, Mishra S. The Role of Spin-orbit Coupling in the Double-ionization Photoelectron Spectra of XCN(2+) (X = Cl, Br and I). The Journal of Physical Chemistry. A. PMID 26881722 DOI: 10.1021/Acs.Jpca.5B12219 |
0.427 |
|
2016 |
Tah B, Dutta D, Pal P, Talapatra GB, Mishra S. QM/MM simulation of the amide-I band in the Raman spectrum of insulin Molecular Physics. 1-13. DOI: 10.1080/00268976.2016.1170220 |
0.553 |
|
2015 |
Dutta D, Mishra S. Structural and mechanistic insight into substrate binding from the conformational dynamics in apo and substrate-bound DapE enzyme. Physical Chemistry Chemical Physics : Pccp. PMID 26674000 DOI: 10.1039/C5Cp06024A |
0.55 |
|
2014 |
Dutta D, Mishra S. The structural and energetic aspects of substrate binding and the mechanism of action of the DapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) investigated using a hybrid QM/MM method. Physical Chemistry Chemical Physics : Pccp. 16: 26348-58. PMID 25367594 DOI: 10.1039/C4Cp03986F |
0.558 |
|
2014 |
Tah B, Pal P, Roy S, Dutta D, Mishra S, Ghosh M, Talapatra GB. Quantum-mechanical DFT calculation supported Raman spectroscopic study of some amino acids in bovine insulin. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 129: 345-51. PMID 24747859 DOI: 10.1016/J.Saa.2014.03.044 |
0.55 |
|
2014 |
Kumar S, Mani G, Dutta D, Mishra S. Structural diversity of copper(I) complexes formed by pyrrole- and dipyrrolylmethane-based diphosphine ligands with cu-X···HN hydrogen bonds. Inorganic Chemistry. 53: 700-9. PMID 24392950 DOI: 10.1021/Ic402253Y |
0.525 |
|
2011 |
Mishra S, Caflisch A. Dynamics in the active site of β-secretase: a network analysis of atomistic simulations. Biochemistry. 50: 9328-39. PMID 21942621 DOI: 10.1021/Bi2011948 |
0.491 |
|
2010 |
Mishra S, Meuwly M. Quantitative analysis of ligand migration from transition networks Biophysical Journal. 99: 3969-3978. PMID 21156139 DOI: 10.1016/J.Bpj.2010.09.068 |
0.493 |
|
2010 |
Mishra S, Meuwly M. Atomistic simulation of NO dioxygenation in group I truncated hemoglobin Journal of the American Chemical Society. 132: 2968-2982. PMID 20146499 DOI: 10.1021/Ja9078144 |
0.519 |
|
2009 |
Mishra S, Meuwly M. Nitric oxide dynamics in truncated hemoglobin: docking sites, migration pathways, and vibrational spectroscopy from molecular dynamics simulations. Biophysical Journal. 96: 2105-18. PMID 19289037 DOI: 10.1016/J.Bpj.2008.11.066 |
0.527 |
|
2008 |
Mishra S. Structural and spectroscopic study of the excited electronic states of silver dihalides by quantum chemical methods. Physical Chemistry Chemical Physics : Pccp. 10: 3987-91. PMID 18597012 DOI: 10.1039/B801910J |
0.431 |
|
2008 |
Sioutis I, Mishra S, Poluyanov LV, Domcke W. Renner-Teller and spin-orbit vibronic coupling effects in linear triatomic molecules with a half-filled pi shell. The Journal of Chemical Physics. 128: 124318. PMID 18376930 DOI: 10.1063/1.2840356 |
0.562 |
|
2008 |
Sioutis I, Mishra S, Poluyanov LV, Domcke W. Renner-Teller and spin-orbit vibronic coupling effects in linear triatomic molecules with a half-filled π shell Journal of Chemical Physics. 128. DOI: 10.1063/1.2840356 |
0.501 |
|
2007 |
Mishra S. Theoretical calculation of the photodetachment spectra of XAuY- (X, Y = Cl, Br, and I). The Journal of Physical Chemistry. A. 111: 9164-8. PMID 17713892 DOI: 10.1021/Jp0736645 |
0.429 |
|
2007 |
Mishra S, Poluyanov LV, Domcke W. Spin-orbit vibronic coupling in 3Pi states of linear triatomic molecules. The Journal of Chemical Physics. 126: 134312. PMID 17430037 DOI: 10.1063/1.2713382 |
0.564 |
|
2007 |
Poluyanov LV, Mishra S, Domcke W. Quasiclassical theory of the dynamical E × E Jahn-Teller effect including spin-orbit interaction Molecular Physics. 105: 1471-1485. DOI: 10.1080/00268970601150536 |
0.514 |
|
2007 |
Mishra S, Poluyanov LV, Domcke W. Spin-orbit vibronic coupling in 3Π states of linear triatomic molecules Journal of Chemical Physics. 126. DOI: 10.1063/1.2713382 |
0.506 |
|
2007 |
Mishra S, Domcke W, Poluyanov LV. A study of spin-orbit vibronic-coupling effects in the over(A, ∼) 3 Π state of CCX (X = O, S, Se) and CNY (Y = N, P, As) Chemical Physics Letters. 446: 256-261. DOI: 10.1016/J.Cplett.2007.08.065 |
0.557 |
|
2007 |
Poluyanov LV, Mishra S, Domcke W. Quasistationary upper-well states of E × E Jahn-Teller systems with spin-orbit coupling Chemical Physics. 332: 243-248. DOI: 10.1016/J.Chemphys.2006.12.003 |
0.521 |
|
2006 |
Mishra S, Vallet V, Poluyanov LV, Domcke W. Calculation of the vibronic structure of the photodetachment spectra of CCCl- and CCBr-. The Journal of Chemical Physics. 125: 164327. PMID 17092093 DOI: 10.1063/1.2363193 |
0.574 |
|
2006 |
Mishra S, Vallet V, Domcke W. Importance of spin-orbit coupling for the assignment of the photodetachment spectra of AuX2- (X=Cl, Br, and I). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 723-7. PMID 16514700 DOI: 10.1002/Cphc.200500554 |
0.57 |
|
2006 |
Mishra S, Vallet V, Poluyanov LV, Domcke W. Calculation of the vibronic structure of the X2Pi photoelectron spectra of XCN, X=F, Cl, and Br. The Journal of Chemical Physics. 124: 044317. PMID 16460172 DOI: 10.1063/1.2161186 |
0.575 |
|
2006 |
Mishra S, Vallet V, Poluyanov LV, Domcke W. Calculation of the vibronic structure of the photodetachment spectra of CCCl̄ and CCBr̄ Journal of Chemical Physics. 125. DOI: 10.1063/1.2363193 |
0.415 |
|
2006 |
Mishra S, Domcke W, Poluyanov LV. Study of strong Σ-Π and spin-orbit vibronic coupling effects in linear triatomic molecules Chemical Physics. 327: 457-467. DOI: 10.1016/J.Chemphys.2006.05.023 |
0.575 |
|
2006 |
Domcke W, Mishra S, Poluyanov LV. The relativistic E x E Jahn-Teller effect revisited Chemical Physics. 322: 405-410. DOI: 10.1016/J.Chemphys.2005.09.009 |
0.521 |
|
2005 |
Mishra S, Vallet V, Poluyanov LV, Domcke W. Spectroscopic effects of first-order relativistic vibronic coupling in linear triatomic molecules. The Journal of Chemical Physics. 123: 124104. PMID 16392472 DOI: 10.1063/1.2018702 |
0.584 |
|
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