Publications

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2012

Using QM/MM Methods for the Exploration of Electron Transfer Pathways

Current Inorganic Chemistry

F. Lucas, D. Masone, S. Saen-oon, F. Wallrapp, and V. Guallar
A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small Molecules

J. Chem. Theory Comput

F. Forti, C. N. Cavasotto, M. Orozco, X. Barril, and J. F. Luque
Application of Drug-Perturbed Essential Dynamics/Molecular Dynamics (ED/MD) to Virtual Screening and Rational Drug Design

J. Chem. Theory Comput.

R. Chaudhuri, C. Anthony Laughton, O. Carrillo, and M. Orozco
Small Molecule Docking from Theoretical Structural Models

Computational Modeling of Biological Systems Biological and Medical Physics, Biomedical Engineering

E. MariaNovoa, L R. de Pouplana, and M. Orozco
Fast Atomistic Molecular Dynamics Simulations from Essential Dynamics Samplings

J. Chem. Theory Comput.

O. Carrillo, C. A. Laughton, and M. Orozco
Geometry, Dynamics, and Electronic Structure of DNA–Carbon Nanotube Hybrids

J. Phys. Chem. C

N. Utz, T. Meyer, G. Rink, M. Orozco, and T. Koslowski
Parallel Algorithms for solving Systems of Linear Algebraic Equations through approximate Monte Carlo Matrix Inverse

7th International Conference on Parallel Matrix Algorithms and Applications

J. Strassburg, and V. Alexandrov
Parallel genetic algorithms for stock market trading rules

Procedia Computer Science

J. Strassburg, V. Alexandrov, and C. Gonzàlez-Martel
DVFS Power Management in HPC Systems

M. Etinski
The Multi-State Processors

I G. Martín

Pages