Hector Martinez-Seara

Všechny publikace

Nejnovější publikace

Bayesian Learning for Accurate and Robust Biomolecular Force Fields

V. Košťál B. Shanks P. Jungwirth H. Martinez-Seara

Journal of Chemical Theory and Computation 22 (5): 2652–2663 (2026)

Transient formation of supramolecular complexes between hyaluronan and oligopeptides at submicromolar concentration

M. Riopedre Fernández B. Chu A. Kuffel A. Marchioro D. Biriukov H. Martinez-Seara

Communications Chemistry 9: 34 (2026)

Why good quality water models have a surprisingly wide range of dielectric constants

V. Cruces Chamorro P. Jungwirth H. Martinez-Seara

Journal of Chemical Physics 163: 194106 (2025)

Charge Scaling Force Field for Biologically Relevant Ions Utilizing a Global Optimization Method

S. Fan P. E. Mason V. Cruces Chamorro B. Shanks H. Martinez-Seara P. Jungwirth

Journal of Chemical Theory and Computation 21 (18): 9023–9034 (2025)