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Journal of Computational Chemistry
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May 10, 2016
Ecoupling server: A tool to compute and analyze electronic couplings
Israel Cabeza de Vaca, Sandra Acebes, Victor Guallar
Journal of Chemical Theory and Computation
|
December 9, 2015
New Monte Carlo Based Technique To Study DNA-Ligand Interactions
Israel Cabeza de Vaca, Maria Fátima Lucas, Victor Guallar
Medchemcomm
|
August 9, 2019
Computation of protein-ligand binding free energies using quantum mechanical bespoke force fields
Daniel J Cole, Israel Cabeza de Vaca, William L Jorgensen
Journal of Chemical Theory and Computation
|
June 12, 2019
Robust Free Energy Perturbation Protocols for Creating Molecules in Solution
Israel Cabeza de Vaca, Ricardo Zarzuela, Julian Tirado-Rives, et al.
Nucleic Acids Research
|
April 27, 2017
LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands
Leela S Dodda, Israel Cabeza de Vaca, Julian Tirado-Rives, et al.
Proteins
|
November 25, 2011
H-bond network optimization in protein-protein complexes: are all-atom force field scores enough?
Diego Masone, Israel Cabeza de Vaca, Carles Pons, et al.
Biochimica Et Biophysica Acta
|
September 20, 2015
A theoretical multiscale treatment of protein-protein electron transfer: The ferredoxin/ferredoxin-NADP(+) reductase and flavodoxin/ferredoxin-NADP(+) reductase systems
Suwipa Saen-Oon, Israel Cabeza de Vaca, Diego Masone, et al.
Biophysical Journal
|
January 28, 2014
Atomic level rendering of DNA-drug encounter
Maria F Lucas, Israel Cabeza de Vaca, Ryoji Takahashi, et al.
Journal of Chemical Theory and Computation
|
May 1, 2018
Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding
Israel Cabeza de Vaca, Yue Qian, Jonah Z Vilseck, et al.
The Journal of Physical Chemistry. B
|
August 26, 2015
Direct Measurement of the Nanomechanical Stability of a Redox Protein Active Site and Its Dependence upon Metal Binding
Marina I Giannotti, Israel Cabeza de Vaca, Juan M Artés, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
May 10, 2016
Ecoupling server: A tool to compute and analyze electronic couplings
Israel Cabeza de Vaca, Sandra Acebes, Victor Guallar
Journal of Chemical Theory and Computation
|
December 9, 2015
New Monte Carlo Based Technique To Study DNA-Ligand Interactions
Israel Cabeza de Vaca, Maria Fátima Lucas, Victor Guallar
Medchemcomm
|
August 9, 2019
Computation of protein-ligand binding free energies using quantum mechanical bespoke force fields
Daniel J Cole, Israel Cabeza de Vaca, William L Jorgensen
Journal of Chemical Theory and Computation
|
June 12, 2019
Robust Free Energy Perturbation Protocols for Creating Molecules in Solution
Israel Cabeza de Vaca, Ricardo Zarzuela, Julian Tirado-Rives, et al.
Nucleic Acids Research
|
April 27, 2017
LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands
Leela S Dodda, Israel Cabeza de Vaca, Julian Tirado-Rives, et al.
Proteins
|
November 25, 2011
H-bond network optimization in protein-protein complexes: are all-atom force field scores enough?
Diego Masone, Israel Cabeza de Vaca, Carles Pons, et al.
Biochimica Et Biophysica Acta
|
September 20, 2015
A theoretical multiscale treatment of protein-protein electron transfer: The ferredoxin/ferredoxin-NADP(+) reductase and flavodoxin/ferredoxin-NADP(+) reductase systems
Suwipa Saen-Oon, Israel Cabeza de Vaca, Diego Masone, et al.
Biophysical Journal
|
January 28, 2014
Atomic level rendering of DNA-drug encounter
Maria F Lucas, Israel Cabeza de Vaca, Ryoji Takahashi, et al.
Journal of Chemical Theory and Computation
|
May 1, 2018
Enhanced Monte Carlo Methods for Modeling Proteins Including Computation of Absolute Free Energies of Binding
Israel Cabeza de Vaca, Yue Qian, Jonah Z Vilseck, et al.
The Journal of Physical Chemistry. B
|
August 26, 2015
Direct Measurement of the Nanomechanical Stability of a Redox Protein Active Site and Its Dependence upon Metal Binding
Marina I Giannotti, Israel Cabeza de Vaca, Juan M Artés, et al.
Page
of 3