1.1k citations · 1.8k across the 16 of their papers we have counts for
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physics.comp-ph2013★ 18 cited
PLUMED-GUI: an environment for the interactive development of molecular dynamics analysis and biasing scripts
Toni Giorgino
PLUMED-GUI is an interactive environment to develop and test complex PLUMED scripts within the Visual Molecular Dynamics (VMD) environment. Computational biophysicists can take adv…
physics.comp-ph2013★ 173 cited
Computing 1-D atomic densities in macromolecular simulations: the Density Profile Tool for VMD
Toni Giorgino
Molecular dynamics simulations have a prominent role in biophysics and drug discovery due to the atomistic information they provide on the structure, energetics and dynamics of bio…
physics.chem-ph2013★ 1.1k cited
Identification of slow molecular order parameters for Markov model construction
Guillermo Perez-Hernandez, Fabian Paul, Toni Giorgino +2
A goal in the kinetic characterization of a macromolecular system is the description of its slow relaxation processes, involving (i) identification of the structural changes involv…