| Binding of berberine to human telomeric quadruplex–spectroscopic, calorimetric and molecular modeling studies A Arora, C Balasubramanian, N Kumar, S Agrawal, RP Ojha, S Maiti The FEBS journal 275 (15), 3971-3983, 2008 | 131 | 2008 |
| Biallelic mutations in TBCD, encoding the tubulin folding cofactor D, perturb microtubule dynamics and cause early-onset encephalopathy E Flex, M Niceta, S Cecchetti, I Thiffault, MG Au, A Capuano, E Piermarini, ... The American Journal of Human Genetics 99 (4), 962-973, 2016 | 79 | 2016 |
| Electrostatic and structural bases of Fe2+ translocation through ferritin channels B Chandramouli, C Bernacchioni, D Di Maio, P Turano, G Brancato Journal of Biological Chemistry 291 (49), 25617-25628, 2016 | 50 | 2016 |
| Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects T Giovannini, P Lafiosca, B Chandramouli, V Barone, C Cappelli The Journal of Chemical Physics 150 (12), 2019 | 45 | 2019 |
| Interplay between lipid lateral diffusion, dye concentration and membrane permeability unveiled by a combined spectroscopic and computational study of a model lipid bilayer M Jan Akhunzada, F D’Autilia, B Chandramouli, N Bhattacharjee, A Catte, ... Scientific Reports 9 (1), 1508, 2019 | 35 | 2019 |
| Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm G Mancini, M Fusè, F Lazzari, B Chandramouli, V Barone The Journal of Chemical Physics 153 (12), 2020 | 34 | 2020 |
| Importance of V3 loop flexibility and net charge in the context of co-receptor recognition. A molecular dynamics study on HIV gp120 C Balasubramanian, G Chillemi, I Abbate, MR Capobianchi, G Rozera, ... Journal of Biomolecular Structure and Dynamics 29 (5), 879-891, 2012 | 26 | 2012 |
| Pathways and Barriers for Ion Translocation through the 5-HT3A Receptor Channel D Di Maio, B Chandramouli, G Brancato PLoS One 10 (10), e0140258, 2015 | 23 | 2015 |
| Clinical and functional characterization of a novel RASopathy‐causing SHOC2 mutation associated with prenatal‐onset hypertrophic cardiomyopathy M Motta, A Giancotti, G Mastromoro, B Chandramouli, V Pinna, ... Human mutation 40 (8), 1046-1056, 2019 | 22 | 2019 |
| Two-level stochastic search of low-energy conformers for molecular spectroscopy: implementation and validation of MM and QM models B Chandramouli, S Del Galdo, M Fusè, V Barone, G Mancini Physical Chemistry Chemical Physics 21 (36), 19921-19934, 2019 | 22 | 2019 |
| Understanding the role of dynamics in the iron sulfur cluster molecular machine D di Maio, B Chandramouli, R Yan, G Brancato, A Pastore Biochimica et Biophysica Acta (BBA)-General Subjects 1861 (1), 3154-3163, 2017 | 22 | 2017 |
| Assessment of multi-scale approaches for computing UV–Vis spectra in condensed phases: Toward an effective yet reliable integration of variational and perturbative QM/MM approaches S Del Galdo, B Chandramouli, G Mancini, V Barone Journal of Chemical Theory and Computation 15 (5), 3170-3184, 2019 | 16 | 2019 |
| Computational study of the DPAP molecular rotor in various environments: from force field development to molecular dynamics simulations and spectroscopic calculations M Macchiagodena, G Del Frate, G Brancato, B Chandramouli, G Mancini, ... Physical Chemistry Chemical Physics 19 (45), 30590-30602, 2017 | 16 | 2017 |
| The role of Tat peptide self-aggregation in membrane pore stabilization: insights from a computational study MJ Akhunzada, B Chandramouli, N Bhattacharjee, S Macchi, F Cardarelli, ... Physical Chemistry Chemical Physics 19 (40), 27603-27610, 2017 | 16 | 2017 |
| Introducing an artificial photo-switch into a biological pore: A model study of an engineered α-hemolysin B Chandramouli, D Di Maio, G Mancini, G Brancato Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (4), 689-697, 2016 | 16 | 2016 |
| Smyd3 open & closed lock mechanism for substrate recruitment: The hinge motion of C-terminal domain inferred from μ-second molecular dynamics simulations B Chandramouli, V Silvestri, M Scarno, L Ottini, G Chillemi Biochimica et Biophysica Acta (BBA)-General Subjects 1860 (7), 1466-1474, 2016 | 15 | 2016 |
| Organic solvent simulations under non-periodic boundary conditions: A library of effective potentials for the GLOB model G Mancini, G Brancato, B Chandramouli, V Barone Chemical Physics Letters 625, 186-192, 2015 | 15 | 2015 |
| Hydration pattern of A4T4 and T4A4 DNA: A molecular dynamics study C Balasubramanian, RP Ojha, S Maiti Biochemical and biophysical research communications 355 (4), 1081-1086, 2007 | 14 | 2007 |
| Clinical phenotypes and quality of life to define post-COVID-19 syndrome: a cluster analysis of the multinational, prospective ORCHESTRA cohort E Gentilotti, A Górska, A Tami, R Gusinow, M Mirandola, JR Baño, ... EClinicalMedicine 62, 2023 | 13 | 2023 |
| Smyd2 conformational changes in response to p53 binding: role of the C‐terminal domain B Chandramouli, G Melino, G Chillemi Molecular Oncology 13 (6), 1450-1461, 2019 | 13 | 2019 |
