CHANDRAMOULI, BALASUBRAMANIAN

CHANDRAMOULI, BALASUBRAMANIAN  

Scuola Normale Superiore  

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Titolo Data di pubblicazione Autori Tipo File
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 2019 Del Galdo S.Chandramouli B.Mancini G.Barone V. 1.1 Articolo in rivista
Boundary condition effects on the dynamic and electric properties of hydration layers 2015 CHANDRAMOULI, BALASUBRAMANIANMANCINI, GIORDANOBRANCATO, Giuseppe + 1.1 Articolo in rivista
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 2015 CHANDRAMOULI, BALASUBRAMANIANDI MAIO, DANILOMANCINI, GIORDANOBARONE, VincenzoBRANCATO, Giuseppe 1.1 Articolo in rivista
Chain length, temperature and solvent effects on the structural properties of α-aminoisobutyric acid homooligopeptides 2016 GRUBISIC, SonjaCHANDRAMOULI, BALASUBRAMANIANBARONE, VincenzoBRANCATO, Giuseppe 1.1 Articolo in rivista
Cherry-picking functionally relevant substates from long md trajectories using a stratified sampling approach 2016 Chandramouli B.Mancini G. 1.1 Articolo in rivista
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics 2020 Mancini G.Del Galdo S.Chandramouli B.Pagliai M.Barone V. 1.1 Articolo in rivista
Computational study of the DPAP molecular rotor in various environments: From force field development to molecular dynamics simulations and spectroscopic calculations 2017 Macchiagodena, MarinaDel Frate, GianlucaBrancato, GiuseppeChandramouli, BalasubramanianMancini, GiordanoBarone, Vincenzo 1.1 Articolo in rivista
Effective yet Reliable Computation of EPR Spectra in Solution by a QM/MM Approach: Interplay between Electrostatics and Non-electrostatic Effects 2019 Cappelli, ChiaraChandramouli, BalasubramanianGiovannini, TommasoLafiosca, PieroBarone, Vincenzo 1.1 Articolo in rivista
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects 2019 Giovannini, TommasoLafiosca, PieroChandramouli, BalasubramanianBarone, VincenzoCappelli, Chiara 1.1 Articolo in rivista
Electrostatic and Structural Bases of Fe2+ Translocation through Ferritin Channels 2016 CHANDRAMOULI, BALASUBRAMANIANDI MAIO, DANILOBRANCATO, Giuseppe + 1.1 Articolo in rivista
Interplay between lipid lateral diffusion, dye concentration and membrane permeability unveiled by a combined spectroscopic and computational study of a model lipid bilayer 2019 Jan Akhunzada, MuhammadChandramouli, BalasubramanianBhattacharjee, NicholusCatte, AndreaCardarelli, FrancescoBrancato, Giuseppe + 1.1 Articolo in rivista
Introducing an artificial photo-switch into a biological pore: A model study of an engineered α-hemolysin 2016 CHANDRAMOULI, BALASUBRAMANIANMANCINI, GIORDANOBRANCATO, Giuseppe + 1.1 Articolo in rivista
Mechanistic insights into metal ions transit through threefold ferritin channel 2019 Chandramouli, BalasubramanianDel Galdo, SaraMancini, GiordanoBarone, Vincenzo 1.1 Articolo in rivista
Organic solvent simulations under non-periodic boundary conditions: A library of effective potentials for the GLOB model 2015 MANCINI, GIORDANOBRANCATO, GiuseppeCHANDRAMOULI, BALASUBRAMANIANBARONE, Vincenzo 1.1 Articolo in rivista
Pathways and Barriers for Ion Translocation through the 5-HT3A Receptor Channel 2015 DI MAIO, DANILOCHANDRAMOULI, BALASUBRAMANIANBRANCATO, Giuseppe 1.1 Articolo in rivista
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 2018 Chandramouli, BalasubramanianDel Galdo, SaraMancini, GiordanoTasinato, NicolaBarone, Vincenzo 1.2 Recensione in rivista
The role of Tat peptide self-aggregation in membrane pore stabilization: insights from a computational study 2017 AKHUNZADA, MUHAMMAD JANChandramouli, BalasubramanianBHATTACHARJEE, NICHOLUSMacchi, SaraCardarelli, FrancescoBrancato, Giuseppe 1.1 Articolo in rivista
Two-level stochastic search of low-energy conformers for molecular spectroscopy: Implementation and validation of MM and QM models 2019 Chandramouli B.Del Galdo S.Fuse M.Barone V.Mancini G. 1.1 Articolo in rivista
Understanding the role of dynamics in the iron sulfur cluster molecular machine 2017 DI MAIO, DANILOCHANDRAMOULI, BALASUBRAMANIANBRANCATO, GiuseppePASTORE, ANNALISA + 1.1 Articolo in rivista
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm 2020 Mancini G.Fuse' M.Lazzari F.Chandramouli B.Barone V. 1.1 Articolo in rivista