Biomol Informatics (Spain)

MEPSA: minimum energy pathway analysis for energy landscapes

Íñigo Marcos‐Alcalde, Javier Setoaín, Jesús I. Mendieta‐Moreno et al. · Bioinformatics · 2015 · 154 citations · Full text

Natural Sciences, Bioinformatics, Biophysics +16

Comparing Molecular Dynamics Force Fields in the Essential Subspace

Fernando Martín-García, Elena Papaleo, Paulino Gómez‐Puertas et al. · PLoS ONE · 2015 · 102 citations · Full text

Natural Sciences, Biochemistry, Biophysics +17

<i>De Novo</i>Heterozygous Mutations in<i>SMC3</i>Cause a Range of Cornelia de Lange Syndrome-Overlapping Phenotypes

María Concepción Gil‐Rodríguez, Matthew A. Deardorff, Morad Ansari et al. · Human Mutation · 2015 · 89 citations · Full text

Life Sciences, Genetics, Molecular Genetics +14

The Role of Gln61 in HRas GTP Hydrolysis: A Quantum Mechanics/Molecular Mechanics Study

Fernando Martín-García, Jesús I. Mendieta‐Moreno, Eduardo López‐Viñas et al. · Biophysical Journal · 2012 · 53 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +10

<scp>fireball</scp>/<scp>amber</scp>: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems

Jesús I. Mendieta‐Moreno, Ross C. Walker, James P. Lewis et al. · Journal of Chemical Theory and Computation · 2014 · 49 citations

Natural Sciences, Chemistry, Physics +17