Mohit Chawla
Mohit Chawla
Bestätigte E-Mail-Adresse bei kaust.edu.sa
Titel
Zitiert von
Zitiert von
Jahr
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
532015
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
502011
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
422010
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
392014
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
372017
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
332017
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 (6), 633-649, 2009
292009
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
202018
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
192015
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
182016
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
162016
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
132020
Structural and energetic impact of non-natural 7-Deaza-8-azaadenine and its 7-substituted derivatives on H-bonding potential with uracil in RNA molecules
M Chawla, R Credendino, R Oliva, L Cavallo
The Journal of Physical Chemistry B 119 (41), 12982-12989, 2015
122015
Energetics and dynamics of the non-natural fluorescent 4AP: DAP base pair
M Chawla, I Autiero, R Oliva, L Cavallo
Physical Chemistry Chemical Physics 20 (5), 3699-3709, 2018
112018
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
102018
Human sialyltransferases and its interaction with anticancer phytochemicals
RK Grewal, AS Pathania, AM Chawla
Int J Pharm Bio Sci 5, 691-698, 2014
72014
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
62020
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
52020
Structural and Energetic Impact of Non-natural 7-Deaza-8-Azaguanine, 7-Deaza-8-Azaisoguanine and their 7-Substituted Derivatives on H-bonding Pairing with Cytosine and Isocytosine
M Chawla, Y Minenkov, KB Vu, R Oliva, L Cavallo
Wiley, 2019
22019
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, 116433, 2021
2021
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