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Mohit Chawla
Mohit Chawla
Bestätigte E-Mail-Adresse bei kaust.edu.sa
Titel
Zitiert von
Zitiert von
Jahr
Amino acid ionic liquids as potential candidates for CO2 capture: Combined density functional theory and molecular dynamics simulations
AR Shaikh, M Ashraf, T AlMayef, M Chawla, A Poater, L Cavallo
Chemical Physics Letters 745, 137239, 2020
812020
An atlas of RNA base pairs involving modified nucleobases with optimal geometries and accurate energies
M Chawla, R Oliva, JM Bujnicki, L Cavallo
Nucleic acids research 43 (14), 6714-6729, 2015
792015
Pesticides curbing soil fertility: effect of complexation of free metal ions
S Kaur, V Kumar, M Chawla, L Cavallo, A Poater, N Upadhyay
Frontiers in chemistry 5, 43, 2017
712017
Protonation of base pairs in RNA: context analysis and quantum chemical investigations of their geometries and stabilities
M Chawla, P Sharma, S Halder, D Bhattacharyya, A Mitra
The Journal of Physical Chemistry B 115 (6), 1469-1484, 2011
582011
Occurrence and stability of lone pair–π stacking interactions between ribose and nucleobases in functional RNAs
M Chawla, E Chermak, Q Zhang, JM Bujnicki, R Oliva, L Cavallo
Nucleic acids research 45 (19), 11019-11032, 2017
552017
On the role of Hoogsteen: Hoogsteen interactions in RNA: Ab initio investigations of structures and energies
P Sharma, M Chawla, S Sharma, A Mitra
Rna 16 (5), 942-957, 2010
512010
Higher order structural effects stabilizing the reverse Watson–Crick Guanine-Cytosine base pair in functional RNAs
M Chawla, S Abdel-Azeim, R Oliva, L Cavallo
Nucleic acids research 42 (2), 714-726, 2014
472014
Structural stability, acidity, and halide selectivity of the fluoride riboswitch recognition site
M Chawla, R Credendino, A Poater, R Oliva, L Cavallo
Journal of the American Chemical Society 137 (1), 299-306, 2015
332015
Modeling the noncovalent interactions at the metabolite binding site in purine riboswitches
P Sharma, S Sharma, M Chawla, A Mitra
Journal of molecular modeling 15, 633-649, 2009
312009
Occurrence and stability of lone pair-π and OH–π interactions between water and nucleobases in functional RNAs
K Kalra, S Gorle, L Cavallo, R Oliva, M Chawla
Nucleic acids research 48 (11), 5825-5838, 2020
272020
Complexation of trichlorosalicylic acid with alkaline and first row transition metals as a switch for their antibacterial activity
V Kumar, M Chawla, L Cavallo, AB Wani, A Manhas, S Kaur, A Poater, ...
Inorganica Chimica Acta 469, 379-386, 2018
272018
Immunoinformatics-aided design of a peptide based multiepitope vaccine targeting glycoproteins and membrane proteins against monkeypox virus
N Akhtar, V Kaushik, RK Grewal, AK Wani, C Suwattanasophon, ...
Viruses 14 (11), 2374, 2022
262022
Structural and energetic characterization of the emissive RNA alphabet based on the isothiazolo [4, 3-d] pyrimidine heterocycle core
M Chawla, A Poater, R Oliva, L Cavallo
Physical Chemistry Chemical Physics 18 (27), 18045-18053, 2016
262016
Immunoinformatics aided design and in-vivo validation of a cross-reactive peptide based multi-epitope vaccine targeting multiple serotypes of dengue virus
V Kaushik, LR Gupta, U Kalra, M Chawla
Frontiers in immunology 13, 865180, 2022
232022
Adsorption of industrial dyes on functionalized and nonfunctionalized asphaltene: A combined molecular dynamics and quantum mechanics study
AR Shaikh, M Chawla, AA Hassan, I Abdulazeez, OA Salawu, ...
Journal of Molecular Liquids 337, 116433, 2021
232021
Enzymatic formation of an artificial base pair using a modified purine nucleoside triphosphate
M Flamme, P Röthlisberger, F Levi-Acobas, M Chawla, R Oliva, ...
ACS Chemical Biology 15 (11), 2872-2884, 2020
232020
Immunoinformatics-Aided Design and In Vivo Validation of a Peptide-Based Multiepitope Vaccine Targeting Canine Circovirus
V Kaushik, P Jain, N Akhtar, A Joshi, LR Gupta, RK Grewal, R Oliva, ...
ACS Pharmacology & Translational Science 5 (8), 679-691, 2022
222022
Theoretical characterization of the H-bonding and stacking potential of two nonstandard nucleobases expanding the genetic alphabet
M Chawla, R Credendino, E Chermak, R Oliva, L Cavallo
The Journal of Physical Chemistry B 120 (9), 2216-2224, 2016
222016
Selective absorption of H2S and CO2 by azole based protic ionic liquids: A combined density functional theory and molecular dynamics study
AR Shaikh, S Posada-Pérez, A Brotons-Rufes, JJ Pajski, G Kumar, ...
Journal of Molecular Liquids 367, 120558, 2022
202022
Theoretical characterization of sulfur-to-selenium substitution in an emissive RNA alphabet: impact on H-bonding potential and photophysical properties
M Chawla, A Poater, P Besalú-Sala, K Kalra, R Oliva, L Cavallo
Physical Chemistry Chemical Physics 20 (11), 7676-7685, 2018
202018
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