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Proteins|March 7, 2007
Predicting DNA-binding amino acid residues from electrostatic stabilization upon mutation to Asp/Glu and evolutionary conservationYao Chi Chen, Chih Yuan Wu, Carmay Lim
The Journal of Physical Chemistry. B|April 23, 2024
Solution Ionic Strength Can Modulate Functional Loop Conformations in E. coli Dihydrofolate ReductaseC Satheesan Babu, Jih-Ying Chen, Carmay Lim
Beilstein Journal of Organic Chemistry|October 24, 2024
Deciphering the mechanism of γ-cyclodextrin's hydrophobic cavity hydration: an integrated experimental and theoretical studyStiliyana Pereva, Stefan Dobrev, Tsveta Sarafska, et al.
Molecules (Basel, Switzerland)|February 13, 2026
Water Molecule(s) Inside the Selectivity Filter of Aquaporin 1: A DFT StudySilvia Angelova, Luis Manuel Frutos, Nikoleta Kircheva, et al.
Membranes|October 28, 2025
Assessing the Stability of Polymer Inclusion Membranes: The Case of Aliquat 336-Based MembranesKalina Velikova, Todor Dudev, Tsveta Sarafska, et al.
Journal of the American Chemical Society|October 3, 2002
Factors governing intrinsic chemical reactivity differences between clavulanic and penicillanic acidsYen-lin Lin, Nai-yuan Chang, Carmay Lim
Journal of the American Chemical Society|August 11, 2005
Differential effects of the Zn-His-Bkb vs Zn-His-[Asp/Glu] triad on Zn-core stability and reactivityYen-Lin Lin, Yu-Ming Lee, Carmay Lim
Wiley Interdisciplinary Reviews. Computational Molecular Science|May 23, 2022
From quantum-derived principles underlying cysteine reactivity to combating the COVID-19 pandemicKarine Mazmanian, Ting Chen, Karen Sargsyan, et al.
Journal of Chemical Theory and Computation|October 11, 2016
Protein Dynamics and Contact Topology Reveal Protein-DNA Binding OrientationAravind Chandrasekaran, Justin Chan, Carmay Lim, et al.
Physical Chemistry Chemical Physics : PCCP|March 1, 2022
Complexation of trivalent metal cations (Al3+, Ga3+, In3+, La3+, Lu3+) to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host-guest recognitionIskra Z Koleva, Stefan Dobrev, Nikoleta Kircheva, et al.
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