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JOURNAL OF PHYSICAL CHEMISTRY B, ISSN 1520-6106, 06/2009, Volume 113, Issue 22, pp. 7844 - 7850
We have extended our previous Studies of calculating acidity constants for the acidic residues found in the turkey ovomucoid third domain protein (OMTKY3) by... 
INITIO QUANTUM-CHEMISTRY | IONIZATION EQUILIBRIA | HYDROGEN | CHEMISTRY, PHYSICAL | SELF-CONSISTENT | MODEL | PROTEINS | ACIDITY CONSTANTS | RESIDUES | SOLVENT | ACCURATE PREDICTION
Journal Article
ACS Chemical Neuroscience, ISSN 1948-7193, 06/2010, Volume 1, Issue 6, pp. 435 - 449
The interplay among commonly used physicochemical properties in drug design was examined and utilized to create a prospective design tool focused on the... 
CNS drugs | Multiparameter optimization (MPO) | CNS MPO | High-throughput screening | Most basic pK | Polarity | Topological polar surface area | Hydrogen bond donor | Central nervous system (CNS) | Lipophilicity | Molecular weight | CNS candidates | desirability score | hydrogen bond donor | Madin-Darby canine kidney | central nervous system (CNS) | DISCOVERY | drug-drug interactions | dofetilide binding | most basic pK(a) | multivariant optimization | Harrington optimization | polarity | BIOCHEMISTRY & MOLECULAR BIOLOGY | high-throughput screening | molecular weight | PROLONGATION | NEUROSCIENCES | PREDICTION | P-glycoprotein | passive permeability | lipophilicity | cellular toxicity | human liver microsome stability | topological polar surface area | Unbound intrinsic clearance | transformed human liver epithelial cells | BINDING | Cell Line | Cell Survival - drug effects | Molecular Weight | Humans | Microsomes, Liver - metabolism | ATP-Binding Cassette, Sub-Family B, Member 1 - metabolism | Central Nervous System - pathology | Cytochrome P-450 Enzyme System - metabolism | Structure-Activity Relationship | Drug Discovery | Central Nervous System Agents - pharmacokinetics | Algorithms | Animals | Hydrogen Bonding | Central Nervous System Agents - pharmacology | Dogs | Drug Design | Endpoint Determination | Central Nervous System - drug effects | Neurons - drug effects | Central Nervous System Agents - toxicity
Journal Article
ACS Chemical Neuroscience, ISSN 1948-7193, 06/2010, Volume 1, Issue 6, pp. 420 - 434
Journal Article
Biochimica et biophysica acta, ISSN 0006-3002, 09/1999, Volume 1434, Issue 1, p. 1
The maximal velocity in the hydration of CO(2) catalyzed by the carbonic anhydrases in well-buffered solutions is limited by an intramolecular proton transfer... 
Protons | Carbon Dioxide - chemistry | Animals | Solutions | Humans | Isoenzymes - chemistry | Catalysis | Kinetics | Buffers | Carbonic Anhydrases - chemistry | Hydrogen-Ion Concentration
Journal Article
PLoS Pathogens, ISSN 1553-7366, 03/2012, Volume 8, Issue 3, p. e1002547
One of the main characteristics of the transmissible isoform of the prion protein (PrPSc) is its partial resistance to proteinase K (PK) digestion. Diagnosis... 
STRAINS | SCRAPIE PRION PROTEIN | SPONGIFORM ENCEPHALOPATHY | MICROBIOLOGY | HAMSTER | MASS-SPECTROMETRY | AGENT | TRANSMISSIBLE MINK ENCEPHALOPATHY | VIROLOGY | IN-VIVO | DISEASE | BRAIN | PARASITOLOGY | Proteins | Studies | Brain | Immunization | Animals | Prions | Creutzfeldt-Jakob disease | Spongiform encephalopathies | Molecular weight
Journal Article
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, ISSN 0960-894X, 02/2011, Volume 21, Issue 3, pp. 932 - 935
Based on the theoretical understanding of the in vivo lysosomotropism, by adjusting the pk(a) of basic nitrogen containing cathepsin S inhibitors, a set of... 
Cathepsin s inhibitor | CHEMISTRY, MEDICINAL | Tissue sequestration | CHEMISTRY, ORGANIC | Lysosomotropism | pk(a)
Journal Article
Bioorganic and Medicinal Chemistry Letters, ISSN 0960-894X, 02/2011, Volume 21, Issue 3, pp. 932 - 935
Based on the theoretical understanding of the in vivo lysosomotropism, by adjusting the pk sub(a) of basic nitrogen containing cathepsin S inhibitors, a set of... 
Journal Article
Japanese Journal of Biometrics, ISSN 0918-4430, 2011, Volume 32, Issue Special_Issue_2, pp. S151 - S156
Journal Article
PLoS pathogens, ISSN 1553-7366, 2012, Volume 8, Issue 3, p. e1002547
One of the main characteristics of the transmissible isoform of the prion protein (PrP(Sc)) is its partial resistance to proteinase K (PK) digestion. Diagnosis... 
Brain - metabolism | PrPSc Proteins - metabolism | Cricetinae | R Factors | Animals | Endopeptidase K - metabolism | Scrapie - enzymology | Mesocricetus | Brain - pathology | Protein Conformation | Longevity | Disease Models, Animal
Journal Article
Biochimica et Biophysica Acta - Protein Structure and Molecular Enzymology, ISSN 0167-4838, 09/1999, Volume 1434, Issue 1, pp. 1 - 5
The maximal velocity in the hydration of CO catalyzed by the carbonic anhydrases in well-buffered solutions is limited by an intramolecular proton transfer... 
Carbonic anhydrase | Proton transfer | BIOPHYSICS | MECHANISM | CRYSTAL-STRUCTURE | BIOCHEMISTRY & MOLECULAR BIOLOGY | RESOLUTION | carbonic anhydrase | MAGNETIC-RESONANCE | proton transfer | SITE-DIRECTED MUTAGENESIS | REFINED STRUCTURE | IV
Journal Article
Proteins: Structure, Function and Bioinformatics, ISSN 0887-3585, 12/2011, Volume 79, Issue 12, pp. 3485 - 3493
Journal Article
JOURNAL OF CHROMATOGRAPHY A, ISSN 0021-9673, 10/2009, Volume 1216, Issue 41, pp. 6917 - 6930
Journal Article