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- 2024
-
Hydrogen bonding in glassy trehalose-water system : Insights from density functional theory and molecular dynamics simulations
(2024)
In Journal of Chemical Physics
160(8).
- Contribution to journal › Article
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A comprehensive exploration of structural and electronic properties of molybdenum clusters
(2024)
In APL Materials
12(3).
- Contribution to journal › Article
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Deeper Insight of the Conformational Ensemble of Intrinsically Disordered Proteins
(2024)
In Journal of Chemical Information and Modeling
64(15).
p.6105-6114
- Contribution to journal › Article
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Exploring the Role of Globular Domain Locations on an Intrinsically Disordered Region of p53 : A Molecular Dynamics Investigation
(2024)
In Journal of Chemical Theory and Computation
20(3).
p.1423-1433
- Contribution to journal › Article
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Translocation of Antimicrobial Peptides across Model Membranes : The Role of Peptide Chain Length
(2024)
In Molecular Pharmaceutics
21(8).
p.4082-4097
- Contribution to journal › Article
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Exploring the Functional Landscape of the p53 Regulatory Domain : The Stabilizing Role of Post-Translational Modifications
(2024)
In Journal of Chemical Theory and Computation
20(14).
p.5842-5853
- Contribution to journal › Article
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An efficient method to establish electrostatic screening lengths of restricted primitive model electrolytes
(2024)
In Physical Chemistry Chemical Physics
26(29).
p.19921-19933
- Contribution to journal › Article
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Cluster Formation Induced by Local Dielectric Saturation in Restricted Primitive Model Electrolytes
(2024)
In The Journal of Physical Chemistry Letters
15(32).
p.8326-8333
- Contribution to journal › Article
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A multi-scale numerical approach to study monoclonal antibodies in solution
(2024)
In APL Bioengineering
8(1).
- Contribution to journal › Article
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Lipid shape and packing are key for optimal design of pH-sensitive mRNA lipid nanoparticles
(2024)
In Proceedings of the National Academy of Sciences of the United States of America
121(2).
- Contribution to journal › Article