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Journal of Medicinal Chemistry, ISSN 0022-2623, 07/2013, Volume 56, Issue 13, pp. 5395 - 5406
Adherent-invasive Escherichia coli (AIEC) have previously been shown to induce gut inflammation in patients with Crohn’s disease (CD). We developed a set of... 
Life Sciences | Symbiosis | Medicinal Chemistry | Microbiology and Parasitology | Veterinary medicine and animal Health | Health | Animal biology | Ecology, environment | Cristallography | Bacteriology | Chemical Sciences
Journal Article
The journal of physical chemistry. B, ISSN 1520-6106, 01/2006, Volume 110, Issue 1, p. 557
It is well documented that helices in proteins can decrease the pKa of residues located at the N-terminus, but the real nature of this perturbation remains... 
Hydrogen Bonding | Models, Chemical | Peptides - chemistry | Protein Structure, Secondary | Cysteine - chemistry | Hydrogen-Ion Concentration
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 01/2006, Volume 110, Issue 1, pp. 557 - 562
It is well documented that helices in proteins can decrease the pK a of residues located at the N-terminus, but the real nature of this perturbation remains... 
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 01/2006, Volume 110, Issue 1, pp. 557 - 562
Journal Article
PLoS Computational Biology, ISSN 1553-734X, 08/2009, Volume 5, Issue 8
  The dissociation mechanism of the thioredoxin (Trx) mixed disulfide complexes is unknown and has been debated for more than twenty years. Specifically,... 
Proteins | Enzymes | Mutagenesis | Biochemistry | Experiments
Journal Article
Scientific Reports, ISSN 2045-2322, 2018, Volume 8, p. 15607
Journal Article
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 11/2004, Volume 108, Issue 44, pp. 17216 - 17225
The first step in the reduction of arsenate to arsenite catalyzed by the enzyme arsenate reductase (ArsC) from Staphylococcus aureus plasmid pI258 involves the... 
MOLECULAR-INTERACTIONS | DIELS-ALDER REACTIONS | CRYSTAL-STRUCTURE | ENZYMATIC CATALYSIS | CHEMISTRY, PHYSICAL | STAPHYLOCOCCUS-AUREUS | WEIGHT PHOSPHOTYROSYL PHOSPHATASE | CONFORMATIONAL-ANALYSIS | DENSITY-FUNCTIONAL THEORY | ELECTROSTATIC POTENTIALS | PROTEIN-TYROSINE-PHOSPHATASE
Journal Article
The Journal of Biological Chemistry, ISSN 0021-9258, 5/2009, Volume 284, Issue 22, pp. 15107 - 15116
We identified the first enzymes that use mycothiol and mycoredoxin in a thiol/disulfide redox cascade. The enzymes are two arsenate reductases from... 
Enzyme Catalysis and Regulation
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 02/2005, Volume 109, Issue 4, pp. 652 - 658
Multiply charged anions (MCA's) are unstable relative to electron autoejection; however, the repulsive Coulomb barrier (RCB) provides electronic stability. In... 
CATALYSIS | SOFTNESS | MECHANISM | SULFATE | POLARIZABILITY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CHEMICAL-REACTIVITY | HARDNESS | DENSITY-FUNCTIONAL THEORY | FUKUI FUNCTION | MOLECULES | Gases - chemistry | Anions - chemistry | Computer Simulation | Molecular Conformation | Electrons | Selenium compounds | Density functionals | Anions | Analysis | Electric properties
Journal Article
Journal Article
British Journal of Haematology, ISSN 0007-1048, 07/2003, Volume 122, Issue 2, pp. 333 - 340
Journal Article
Topics in Medicinal Chemistry, ISSN 1862-2461, 2014, Volume 12, pp. 123 - 168
Journal Article
Journal of Biomolecular Structure and Dynamics, ISSN 0739-1102, 01/2015, Volume 33, Issue 1, pp. 93 - 103
Protein disulfides can adopt a wide variety of conformations, each having different energies. Limited experimental data suggest that disulfides adopting a high... 
disulfide | structure-reactivity relations | conformation | quantitative MO theory | disulfide/thiol redox potential
Journal Article
Molecular Microbiology, ISSN 0950-382X, 11/2012, Volume 86, Issue 4, p. 787
To survive hostile conditions, the bacterial pathogen Mycobacterium tuberculosis produces millimolar concentrations of mycothiol as a redox buffer against... 
Oxidative stress | Hydrogen bonds | Protein folding | Gram-positive bacteria | Electron transfer | Defense mechanisms
Journal Article
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