Effects of G-Quadruplex Topology on Electronic Transfer Integrals

por Sun, Wenming, Varsano, Daniele, Di Felice, Rosa
Publicado 2016

LCAO Electronic Structure of Nucleic Acid Bases and Other Heterocycles and Transfer Integrals in B-DNA, Including Structural Variability

por Mantela, Marilena, Simserides, Constantinos, Di Felice, Rosa
Publicado 2021

The Structure of Neuronal Calcium Sensor-1 in Solution Revealed by Molecular Dynamics Simulations

por Bellucci, Luca, Corni, Stefano, Di Felice, Rosa, Paci, Emanuele
Publicado 2013

Control of DNA minor groove width and Fis protein binding by the purine 2-amino group

por Hancock, Stephen P., Ghane, Tahereh, Cascio, Duilio, Rohs, Remo, Di Felice, Rosa, Johnson, Reid C.
Publicado 2013

Landscape of DNA binding signatures of myocyte enhancer factor-2B reveals a unique interplay of base and shape readout

por Dantas Machado, Ana Carolina, Cooper, Brendon H, Lei, Xiao, Di Felice, Rosa, Chen, Lin, Rohs, Remo
Publicado 2020

DNAshape: a method for the high-throughput prediction of DNA structural features on a genomic scale

por Zhou, Tianyin, Yang, Lin, Lu, Yan, Dror, Iris, Dantas Machado, Ana Carolina, Ghane, Tahereh, Di Felice, Rosa, Rohs, Remo
Publicado 2013

A Perspective on Sustainable Computational Chemistry Software Development and Integration

por Di Felice, Rosa, Mayes, Maricris L., Richard, Ryan M., Williams-Young, David B., Chan, Garnet Kin-Lic, de Jong, Wibe A., Govind, Niranjan, Head-Gordon, Martin, Hermes, Matthew R., Kowalski, Karol, Li, Xiaosong, Lischka, Hans, Mueller, Karl T., Mutlu, Erdal, Niklasson, Anders M. N., Pederson, Mark R., Peng, Bo, Shepard, Ron, Valeev, Edward F., van Schilfgaarde, Mark, Vlaisavljevich, Bess, Windus, Theresa L., Xantheas, Sotiris S., Zhang, Xing, Zimmerman, Paul M.
Publicado 2023