Dr. Hector Martinez-Seara Monne

hector.martinez-seara@uochb.cas.cz

+420 220 183 399

Group leader

High Performance Computing

Hector Martinez-Seara Group

Scientist

Pavel Jungwirth Group

Molecular Modeling

All publications

Latest publications

Ion pairing in aqueous tetramethylammonium–acetate solutions by neutron scattering and molecular dynamics simulations

N. L. Le Nguyen O. Ticháček P. Jungwirth H. Martinez-Seara P. E. Mason E. Duboué-Dijon

Physical Chemistry Chemical Physics 27 (5): 2553-2562 (2025)

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Can calmodulin bind to lipids of the cytosolic leaflet of plasma membranes?

F. Scollo C. Tempra H. Evci M. Riopedre Fernández A. Olżyńska M. Javanainen A. Uday M. Cebecauer L. Cwiklik H. Martinez-Seara P. Jungwirth P. Jurkiewicz M. Hof

Open Biology 14 (9): 240067 (2024)

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Developing and Benchmarking Sulfate and Sulfamate Force Field Parameters via Ab Initio Molecular Dynamics Simulations To Accurately Model Glycosaminoglycan Electrostatic Interactions

M. Riopedre Fernández V. Košťál T. Martinek H. Martinez-Seara D. Biriukov

Journal of Chemical Information and Modeling 64 (18): 7122–7134 (2024)

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Effective Inclusion of Electronic Polarization Improves the Description of Electrostatic Interactions: The prosECCo75 Biomolecular Force Field

R. Nencini C. Tempra D. Biriukov M. Riopedre Fernández V. Cruces Chamorro J. Polák P. E. Mason D. Ondo J. Heyda O. H. S. Ollila P. Jungwirth M. A. Javanainen H. Martinez-Seara

Journal of Chemical Theory and Computation 20 (17): 7546–7559 (2024)

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Dr. Hector Martinez-Seara Monne

Latest publications