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When cells lose water: Lessons from biophysics and molecular biology
(Elsevier, 2008-10)
Organisms living in deserts and anhydrobiotic species are useful models for unraveling mechanisms used to overcome water loss. In this context, late embryogenesis abundant (LEA) proteins and sugars have been extensively ...
Packing defects functionalize soluble proteins
(Wiley, 2015-03)
This work explores the participation of protein packing defects, the so-called dehydrons, in biochemical events. We delineate the enabling role of dehydrons as activators of nucleophilic groups. This activation results ...
Artificial Intelligence Steering Molecular Therapy in the Absence of Information on Target Structure and Regulation
(American Chemical Society, 2020-02-18)
Protein associations are at the core of biological activity, and the drug-based disruption of dysfunctional associations poses a major challenge to targeted therapy. The problem becomes daunting when the structure and ...
Implementing complementary approaches to shape the mechanism of α-synuclein oligomerization as a model of amyloid aggregation
(Molecular Diversity Preservation International, 2022)
Predicting the effect of steroids on membrane biophysical properties based on the molecular structure
(Elsevier, 2012-03)
The relationship between sterol structure and the resulting effects on membrane physical properties is still unclear, owing to the conflicting results found in the current literature. This study presents a multivariate ...
Understanding health and disease with multidimensional single-cell methods
(IOP Publishing, 2014-01)
Current efforts in the biomedical sciences and related interdisciplinary fields are focused ongaining a molecular understanding of health and disease, which is a problem of dauntingcomplexity that spans many orders of ...
Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology
(Springer, 2018-12)
This is a perspective article entitled “Frontiers in computational biophysics: understanding conformational dynamics of complex lipid mixtures relevant to biology” which is following a CECAM meeting with the same name.
Beyond Stability Constraints: A biophysical model of enzyme evolution with selection on stability and activity
(Oxford University Press, 2018-12-27)
The rate of evolution varies among sites within proteins. In enzymes, two rate gradients are observed: rate decreases with increasing local packing and it increases with increasing distance from catalytic residues. The ...
The case for class II bacteriocins: A biophysical approach using “suicide probes” in receptor-free hosts to study their mechanism of action
(Elsevier B.V., 2019-10)
Class II bacteriocins are unmodified membrane-active peptides that act over a narrow spectrum of target bacteria. They bind a specific receptor protein on the membrane to form a pore, leading to membrane permeabilization ...
Hydrogen Bonds: Stickiness of the Hydrogen Bond (Ann. Phys. 9/2018)
(Wiley VCH Verlag, 2018-09)
The dielectric response of bulk water follows laws of continuum electrostatics,a scheme often extrapolated without justification to treat confined interfacialwater, where the Debye polarization ansatz breaks down and ...