| 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 | 82 | 2020 |
| 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 | 81 | 2015 |
| 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 | 71 | 2017 |
| 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 | 58 | 2011 |
| 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 | 57 | 2017 |
| 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 | 51 | 2010 |
| 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 | 47 | 2014 |
| 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 | 33 | 2015 |
| 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 | 31 | 2009 |
| 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 | 28 | 2022 |
| 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 | 28 | 2020 |
| 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 | 27 | 2018 |
| 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 | 27 | 2016 |
| 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, AR Shaikh, L Cavallo, M Chawla Frontiers in immunology 13, 865180, 2022 | 26 | 2022 |
| 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 | 24 | 2022 |
| 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 | 24 | 2021 |
| 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 | 24 | 2020 |
| 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 | 23 | 2016 |
| 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 | 22 | 2018 |
| 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 | 22 | 2015 |
Luigi CavalloKAUSTVerified email at kaust.edu.sa
