| |
| Research Highlights |
| |
|
Computational Design, Synthesis, and Optical Properties of
Film-Forming, Near-Infrared Absorbing, and Fluorescent Chromophores with Multidonors and Large Heterocyclic Acceptors
[PDF]
[Link]
Min Luo , Hooman Shadnia, Gang Qian, Xiaobo Du, Dengbin Yu,
Dongge Ma, James S. Wright, , Zhi Yuan Wang, Chemistry – A
European Journal,
2009
|
 |
|
| |
|
|
Deconstructing the
estradiol ABCD ring structure: A new family of A-CD compounds
which are potent and selective estrogen receptor agonists
[PDF]
[Link]
Tony Durst*, Mohammed Asim, James
S. Wright, Hooman Shadnia, Christine Pratt, John
Katzenellenbogen, Kathryn Carlsen. Bioorganic and Medicinal
Biology,
2009 |
|
| |
|
Investigation of Residues
K112, E136, H138, G247, Y248, and D249 in the Active Site of
Yeast Cystathionine β-Synthase
[PDF]
[Link]
Pratik Lodha, Hooman Shadnia, Colleen M. Helferty, James Wright,
and Susan M. Aitken*. Biochemistry and Cell Biology,
2009 |
 |
|
| |
 |
Interaction force diagrams: New insight
into ligand-receptor binding
[PDF]
[Link]
[Download Software]
Hooman Shadnia*, James S. Wright, James M. Anderson, Journal
of Computer Aided Molecular Design,
, Volume 23, No. 3, 1573,185-194,
2009 |
|
| |
|
Computational optimization of
peptides that inhibit the dimerization of estrogen receptor
Hooman Shadnia* and James S. Wright, Submitted June
2009
|
 |
|
| |
|
Experimental and Computer Modelling
Thermodynamics Studies of Polyhalogenated Organic Compounds
Adsorption from Aqueous Solutions by chemically modified
Multi-Walled Carbon Nanotubes
Mohamed Abdel Salam*, Hooman Shadnia, Robert Burk, Submitted
Aug 2009.
|
 |
|
| |
| Using
molecular strain and
aromaticity to create ultra-weak C-H bonds and stabilized
carbon-centered radicals
[PDF]
[Link]
Hooman
Shadnia* and James S. Wright. Journal of Chemical Theory and
Computation,
5, 1129–1136,
2009
 |
| |
|
Stability of carbon-centered
radicals: Effect of functional groups on the energetics of addition of
molecular oxygen
[PDF]
[Link]
James S.
Wright, Hooman Shadnia, Leonid L. Chepelev. Journal of Computational
Chemistry,
30(7):1016-26.
2009
 |
| |
| Computational
modeling of substituent effects on phenol toxicity
[PDF]
[Link]
[FEATURED ACS ARTICLE]
James S.
Wright* and Hooman Shadnia. Chemical. Research in Toxicology,
21(7); 1426-1431,
2008 |
 |
|
| |
|
Understanding the toxicity of
phenols: Using QSAR and enthalpy changes to discriminate between
possible mechanisms
[PDF]
[Link]
Hooman Shadnia* and James S. Wright. Chemical Research in Toxicology,
21(6); 1197-1204, 2008
 |
| |
Synthesis, antibacterial activity,
and quantitative structure–activity relationships of new (Z)-2-(nitroimidazolylmethylene)-
3(2H)-benzofuranone derivatives
[PDF]
[Link]
Narges Hadj-esfandiari, Latifeh Navidpour, Hooman Shadnia, Mohsen Amini,
Nasrin Samadi, Mohammad Ali Faramarzid and Abbas Shafiee*. Bioorganic
& Medicinal Chemistry Letters, 17, 6354–6363,
2007 |
 |
|
| |
|
Design, synthesis, and biological
evaluation of substituted 2-alkylthio-1,5-diarylimidazoles as
selective COX-2 inhibitors
[PDF]
[Link]
Latifeh Navidpour*, Hooman Shadnia, Hamed Shafaroodi, Mohsen
Amini, Ahmad Reza Dehpourd and Abbas Shafiee. Bioorganic &
Medicinal Chemistry, 15, 1976–1982,
2007
|
 |
|
| |
|
 |
Modeling
of ligand binding to human carbonyl reductase enzyme
W.G. Willmore*, F. Quazi, H.Shadnia , Draft, Apr 2008. |
|
| |
| |
| |
| |
| |
