CS
Dr. Hector Martinez-Seara Monne

Dr. Hector Martinez-Seara Monne

mail hector.martinez-searainvalid-email-name@invalid-email-domainuochb.cas.cz
phone +420 220 183 187
Group leader
High Performance Computing
Hector Martinez-Seara Group
Scientist
Pavel Jungwirth Group
Molecular Modeling
All publications

Latest publications

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 2024: Early View
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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 2024: Early View
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Foldamers controlled by functional triamino acids: structural investigation of α/γ-hybrid oligopeptides
D. Just V. Palivec K. Bártová L. Bednárová M. Pazderková I. Císařová H. Martinez-Seara U. Jahn
Communications Chemistry 7: 114 (2024)
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Building Water Models Compatible with Charge Scaling Molecular Dynamics
V. Cruces Chamorro P. Jungwirth H. Martinez-Seara
Journal of Physical Chemistry Letters 15 (10): 2922–2928 (2024)
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