CHANDRAMOULI, BALASUBRAMANIAN

CHANDRAMOULI, BALASUBRAMANIAN  

Scuola Normale Superiore  

Mostra records
Risultati 1 - 20 di 20 (tempo di esecuzione: 0.036 secondi).
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 1-gen-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 1-gen-2015 CHANDRAMOULI, BALASUBRAMANIANMANCINI, GIORDANOBRANCATO, Giuseppe + 1.1 Articolo in rivista
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism 1-gen-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 1-gen-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 1-gen-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 1-gen-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 1-gen-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 25-mar-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 1-gen-2019 Giovannini, TommasoLafiosca, PieroChandramouli, BalasubramanianBarone, VincenzoCappelli, Chiara 1.1 Articolo in rivista
Electrostatic and Structural Bases of Fe2+ Translocation through Ferritin Channels 1-gen-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 1-gen-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 1-gen-2016 CHANDRAMOULI, BALASUBRAMANIANMANCINI, GIORDANOBRANCATO, Giuseppe + 1.1 Articolo in rivista
Mechanistic insights into metal ions transit through threefold ferritin channel 1-gen-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 1-gen-2015 MANCINI, GIORDANOBRANCATO, GiuseppeCHANDRAMOULI, BALASUBRAMANIANBARONE, Vincenzo 1.1 Articolo in rivista
Pathways and Barriers for Ion Translocation through the 5-HT3A Receptor Channel 1-gen-2015 DI MAIO, DANILOCHANDRAMOULI, BALASUBRAMANIANBRANCATO, Giuseppe 1.1 Articolo in rivista
The role of Tat peptide self-aggregation in membrane pore stabilization: insights from a computational study 1-gen-2017 AKHUNZADA, MUHAMMAD JANChandramouli, BalasubramanianBHATTACHARJEE, NICHOLUSMacchi, SaraCardarelli, FrancescoBrancato, Giuseppe 1.1 Articolo in rivista
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches 1-gen-2018 Chandramouli, BalasubramanianDel Galdo, SaraMancini, GiordanoTasinato, NicolaBarone, Vincenzo 1.2 Recensione in rivista
Two-level stochastic search of low-energy conformers for molecular spectroscopy: Implementation and validation of MM and QM models 1-gen-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 1-gen-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 1-gen-2020 Mancini G.Fuse' M.Lazzari F.Chandramouli B.Barone V. 1.1 Articolo in rivista