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Robert A. Pearlstein

Novartis

26

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701

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General structure-free energy relationships of hERG blocker binding under native cellular conditions

2021 bioRxiv
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Toward in vivo-relevant hERG safety assessment and mitigation strategies based on relationships between non-equilibrium blocker binding, three-dimensional channel-blocker interactions, dynamic occupancy, dynamic exposure, and cellular arrhythmia.

2020 PLOS ONE
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Toward in vivo-relevant hERG safety assessment and mitigation strategies based on relationships between non-equilibrium blocker binding, three-dimensional channel-blocker interactions, dynamic occupancy, dynamic exposure, and cellular arrhythmia

2020 bioRxiv
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Probing the dynamic structure-function and structure-free energy relationships of the corona virus main protease with Biodynamics theory

2020 bioRxiv
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Probing cellular arrhythmogenesis using the O′Hara-Rudy model of the undiseased human ventricular cardiomyocyte

2020 bioRxiv
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Probing the Dynamic Structure–Function and Structure-Free Energy Relationships of the Coronavirus Main Protease with Biodynamics Theory

2020
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Toward in vivo relevant drug design

2020 Drug Discovery Today
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Biodynamics: A novel quasi-first principles theory on the fundamental mechanisms of cellular function/dysfunction and the pharmacological modulation thereof

2018 PLOS ONE
- Gianluca Selvaggio
- Robert A. Pearlstein
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Biodynamics: A novel quasi-first principles theory on the fundamental mechanisms of cellular function/dysfunction and the pharmacological modulation thereof

2018 PLOS ONE
- Gianluca Selvaggio
- Robert A. Pearlstein
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Structure–Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling

2017 Journal of the American Chemical Society
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