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- 2018
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Mark
Higher Flexibility of Glu-172 Explains the Unusual Stereospecificity of Glyoxalase i
(
- Contribution to journal › Article
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Mark
Arginine "magic" : Guanidinium Like-Charge Ion Pairing from Aqueous Salts to Cell Penetrating Peptides
(
- Contribution to journal › Article
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Mark
Reaction Mechanism of [NiFe] Hydrogenase Studied by Computational Methods
(
- Contribution to journal › Article
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Mark
Protonation and Reduction of the FeMo Cluster in Nitrogenase Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations
(
- Contribution to journal › Article
-
Mark
Multiscale study of crystal and electronic structure of Al defects in concrete
2018) International Conference of Computational Methods in Sciences and Engineering 2018, ICCMSE 2018 2040.(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
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Mark
Theoretical Studies Using Simple Ionic Liquid Models
2018)(
- Thesis › Doctoral thesis (compilation)
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Mark
Coarse-grained model of titrating peptides interacting with lipid bilayers
(
- Contribution to journal › Article
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Mark
Design, Synthesis and Computational Study of Fluorinated Quinoxaline-Oligothiophene-based Conjugated Polymers with Broad Spectral Coverage
(
- Contribution to journal › Article
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Mark
A classical density functional theory for the asymmetric restricted primitive model of ionic liquids
(
- Contribution to journal › Article
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Mark
FeII Hexa N-Heterocyclic Carbene Complex with a 528 ps Metal-To-Ligand Charge-Transfer Excited-State Lifetime
(
- Contribution to journal › Article