What is the origin of the prepeak in the X-ray scattering of imidazolium-based room-temperature ionic liquids? HVR Annapureddy, HK Kashyap, PM De Biase, CJ Margulis The Journal of Physical Chemistry B 114 (50), 16838-16846, 2010 | 411 | 2010 |
Modeling heme proteins using atomistic simulations DE Bikiel, L Boechi, L Capece, A Crespo, PM De Biase, S Di Lella, ... Physical Chemistry Chemical Physics 8 (48), 5611-5628, 2006 | 85 | 2006 |
Molecular basis of coupled protein and electron transfer dynamics of cytochrome c in biomimetic complexes D Alvarez-Paggi, DF Martín, PM De Biase, P Hildebrandt, MA Martí, ... Journal of the American Chemical Society 132 (16), 5769-5778, 2010 | 70 | 2010 |
Molecular Basis for the Electric Field Modulation of Cytochrome c Structure and Function PM De Biase, DA Paggi, F Doctorovich, P Hildebrandt, DA Estrin, ... Journal of the American Chemical Society 131 (44), 16248-16256, 2009 | 68 | 2009 |
Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration DM Moreno, MA Martí, PM De Biase, DA Estrin, V Demicheli, R Radi, ... Archives of biochemistry and biophysics 507 (2), 304-309, 2011 | 62 | 2011 |
Dry excess electrons in room-temperature ionic liquids CJ Margulis, HVR Annapureddy, PM De Biase, D Coker, J Kohanoff, ... Journal of the American Chemical Society 133 (50), 20186-20193, 2011 | 54 | 2011 |
Electric field effects on the reactivity of heme model systems PM De Biase, F Doctorovich, DH Murgida, DA Estrin Chemical physics letters 434 (1-3), 121-126, 2007 | 41 | 2007 |
HNO trapping and assisted decomposition of nitroxyl donors by ferric hemes SA Suárez, MA Martí, PM De Biase, DA Estrin, SE Bari, F Doctorovich Polyhedron 26 (16), 4673-4679, 2007 | 39 | 2007 |
Determinants of isoform-specific gating kinetics of hERG1 channel: combined experimental and simulation study LL Perissinotti, PM De Biase, J Guo, PC Yang, MC Lee, CE Clancy, ... Frontiers in physiology 9, 306853, 2018 | 34 | 2018 |
Mechanisms of NO Release by N1-Nitrosomelatonin: Nucleophilic Attack versus Reducing Pathways PM De Biase, AG Turjanski, DA Estrin, F Doctorovich The Journal of organic chemistry 70 (15), 5790-5798, 2005 | 32 | 2005 |
BROMOC-D: Brownian Dynamics/Monte-Carlo Program Suite to Study Ion and DNA Permeation in Nanopores PM De Biase, CJF Solano, S Markosyan, L Czapla, SY Noskov Journal of Chemical Theory and Computation 8 (7), 2540-2551, 2012 | 31 | 2012 |
Kinetic model for NS1643 drug activation of WT and L529I variants of Kv11. 1 (hERG1) potassium channel LL Perissinotti, J Guo, PM De Biase, CE Clancy, HJ Duff, SY Noskov Biophysical journal 108 (6), 1414-1424, 2015 | 27 | 2015 |
Microsecond simulations of DNA and ion transport in nanopores with novel ion–ion and ion–nucleotides effective potentials PM De Biase, S Markosyan, S Noskov Journal of Computational Chemistry 35 (9), 711-721, 2014 | 22 | 2014 |
The BROMOCEA Code: An Improved Grand Canonical Monte Carlo/Brownian Dynamics Algorithm Including Explicit Atoms CJF Solano Biophysical Journal 110 (3), 328a, 2016 | 21 | 2016 |
Effect of confinement on DNA, solvent and counterion dynamics in a model biological nanopore S Markosyan, PM De Biase, L Czapla, O Samoylova, G Singh, J Cuervo, ... Nanoscale 2014 (6), 9006-9016, 2014 | 20 | 2014 |
What controls open-pore and residual currents in the first sensing zone of alpha-hemolysin nanopore? Combined experimental and theoretical study PM De Biase, EN Ervin, P Pal, O Samoylova, S Markosyan, MG Keehan, ... Nanoscale 8 (22), 11571-11579, 2016 | 13 | 2016 |
BROMOC suite: Monte Carlo/Brownian dynamics suite for studies of ion permeation and DNA transport in biological and artificial pores with effective potentials PM De Biase, S Markosyan, S Noskov Journal of computational chemistry 36 (4), 264-271, 2015 | 11 | 2015 |
Novel equations to predict vibrational spectroscopic and electrodynamics properties of molecules PM De Biase Journal of Physics Communications 2 (4), 045031, 2018 | | 2018 |
Dependence of Ions Transport by DNA Blockage in Alpha-Hemolysin and MspA Toxins Studied by Means of Gran-Canonical Monte-Carlo/Brownian Dynamics with Effective Potentials PM De Biase, S Noskov Biophysical Journal 104 (2), 509a, 2013 | | 2013 |
Towards Nanopore Sequencing: Comparing Experimental Results with Computational Modeling of DNA Interactions with α-Hemolysin O Samoylova, S Markosyan, EN Ervin, P Pal, P De Biase, MG Keehan, ... Biophysical Journal 102 (3), 729a, 2012 | | 2012 |