Computational molecular biophysics: A 50-year molecular dynamics hegemony?
Computational molecular biophysics: A 50-year molecular dynamics hegemony? Biophys J. 2026 Aug 18; 125(16):E1-E2.
PMID: 42567169
The scientific legacy of Martin Karplus from the perspective of his collaborators.
The scientific legacy of Martin Karplus from the perspective of his collaborators. Biophys J. 2026 Aug 18; 125(16):4065-4096.
PMID: 41928473
The Role of Architectural Forces in Ion Selectivity.
The Role of Architectural Forces in Ion Selectivity. Adv Exp Med Biol. 2026; 1497:3-18.
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Conductance of a potassium channel in the limit of zero membrane potential.
Conductance of a potassium channel in the limit of zero membrane potential. Biophys J. 2026 Aug 18; 125(16):4097-4102.
PMID: 41445180
Force field sensitivity of ion occupancy in potassium channels.
Force field sensitivity of ion occupancy in potassium channels. Biophys J. 2026 Aug 18; 125(16):4131-4146.
PMID: 41351268
The need to implement FAIR principles in biomolecular simulations.
The need to implement FAIR principles in biomolecular simulations. Nat Methods. 2025 Apr; 22(4):641-645.
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Isoleucine gate blocks K+ conduction in C-type inactivation.
Isoleucine gate blocks K+ conduction in C-type inactivation. Elife. 2024 Nov 12; 13.
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CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. J Phys Chem B. 2024 10 17; 128(41):9976-10042.
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Dynamics of activation in the voltage-sensing domain of Ciona intestinalis phosphatase Ci-VSP.
Dynamics of activation in the voltage-sensing domain of Ciona intestinalis phosphatase Ci-VSP. Nat Commun. 2024 02 15; 15(1):1408.
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Biochemical and biophysical characterization of natural polyreactivity in antibodies.
Biochemical and biophysical characterization of natural polyreactivity in antibodies. Cell Rep. 2023 10 31; 42(10):113190.
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