103 Publications (Page 3 of 5)
2010
BioDrugScreen: a computational drug design resource for ranking molecules docked to the human proteome.
Li, Liwei⋅Bum-Erdene, Khuchtumur⋅Baenziger, Peter H⋅Rosen, Joshua J⋅Hemmert, Jamison R⋅Nellis, Joy A⋅Pierce, Marlon E and Meroueh, Samy
Nucleic acids research., vol. 38, pp. D765-D773, 2010. | Journal Article
 
Docking Small Molecules to Predicted Off-Targets of the Cancer Drug Erlotinib Leads to Inhibitors of Lung Cancer Cell Proliferation with Suitable In vitro Pharmacokinetic Properties.
Li, Liwei⋅Li, Jing⋅Khanna, May⋅Jo, Inha⋅Baird, Jason P and Meroueh, Samy O
ACS medicinal chemistry letters, vol. 1, (no. 5), pp. 229-233, August 12, 2010. | Journal Article
 
Docking to Erlotinib Off-Targets Leads to Inhibitors of Lung Cancer Cell Proliferation with Suitable in Vitro Pharmacokinetics
Li, Liwei⋅Li, Jing⋅Khanna, May⋅Jo, Inha⋅Baird, Jason P and Meroueh, Samy O
ACS Medicinal Chemistry Letters, vol. 1, (no. 5), pp. 233, 20100812. | Journal Article
 
In Silico Docking and Electrophysiological Characterization of Lacosamide Binding Sites on Collapsin Response Mediator Protein-2 Identifies a Pocket Important in Modulating Sodium Channel Slow Inactivation
Wang, Yuying⋅Wang, Yuying⋅Brittain, Joel M⋅Brittain, Joel M⋅Jarecki, Brian W⋅Jarecki, Brian W⋅Park, Ki D⋅Park, Ki Duk⋅Wilson, Sarah M⋅Wilson, Sarah M⋅Wang, Bo⋅Wang, Bo⋅Hale, Rachel⋅Hale, Rachel⋅Meroueh, Samy O⋅Meroueh, Samy⋅Cummins, Theodore R⋅Cummins, Theodore R⋅Khanna, Rajesh and Khanna, Rajesh
Journal of Biological Chemistry, vol. 285, (no. 33), pp. 25296-25307, 2010. | Journal Article
 
Structural Aspects for Evolution of [beta]-Lactamases from Penicillin-Binding Proteins
Meroueh, Samy⋅Minasov, George⋅Lee, Wenlin⋅Shoichet, Brian⋅Mobashery, Shahriar⋅ and
J. Am. Chem. Soc, vol. 125, (no. 2003), 2010-03-08. | Journal Article
2009
Analysis of structured and intrinsically disordered regions of transmembrane proteins.
Xue, Bin⋅Li, Liwei⋅Meroueh, Samy⋅Uversky, Vladimir N and Dunker, A K
Molecular bioSystems, vol. 5, (no. 12), pp. 1688-1702, 2009/Dec. | Journal Article
 
A new genetic subgroup of chronic granulomatous disease with autosomal recessive mutations in p40 phox and selective defects in neutrophil NADPH oxidase activity.
Matute, Juan D.⋅Matute, Juan D⋅Arias, Andres A.⋅Arias, Andres A⋅Wright, Nicola A. M.⋅Wright, Nicola A⋅Wrobel, Iwona⋅Wrobel, Iwona⋅Waterhouse, Christopher C⋅Waterhouse, Christopher C. M.⋅Li, Xing Jun⋅Li, Xing J⋅Marchal, Christophe C⋅Marchal, Christophe C.⋅Stull, Natalie D.⋅Stull, Natalie D⋅Lewis, David B⋅Lewis, David B.⋅Steele, MacGregor⋅Steele, MacGregor⋅Kellner, James D⋅Kellner, James D.⋅Yu, Weiming⋅Yu, Weiming⋅Meroueh, Samy⋅Meroueh, Samy O.⋅Nauseef, William M.⋅Nauseef, William M⋅Dinauer, Mary C and Dinauer, Mary C.
Blood, vol. 114, (no. 15), pp. 3309-15, 2009/Oct/8. | Journal Article
 
Consensus scoring for enriching near-native structures from protein-protein docking decoys
Liang, Shide⋅Meroueh, Samy⋅Wang, Guangce⋅Qiu, Chao and Zhou, Yaoqi
Proteins: Structure, Function & Bioinformatics, vol. 75, (no. 2), pp. 397-403, 2009. | Journal Article
 
Exploring the molecular design of protein interaction sites with molecular dynamics simulations and free energy calculations.
Liang, Shide⋅Li, Liwei⋅Hsu, Wei-Lun⋅Pilcher, Meaghan N⋅Uversky, Vladimir N⋅Zhou, Yaoqi⋅Dunker, A. K and Meroueh, Samy
Biochemistry, vol. 48, (no. 2), pp. 399-414, 2009/Jan/20. | Journal Article
 
Incorporating receptor flexibility in the molecular design of protein interfaces
Li, Liwei⋅Liang, Shide⋅Pilcher, Meaghan M and Meroueh, Samy
Protein Engineering Design and Selection, vol. 22, (no. 9), pp. 575-586, 2009. | Journal Article
2008
Investigation of the mechanism of the cell wall DD-carboxypeptidase reaction of penicillin-binding protein 5 of Escherichia coli by quantum
Shi, Qicun⋅Meroueh, Samy⋅Fisher, Jed and Mobashery, Shahriar
Journal of the American Chemical Society, vol. 130, (no. 29), pp. 9293, 20080723. | Journal Article
 
Investigation of the Mechanism of the Cell Wall DD-Carboxypeptidase Reaction of Penicillin-Binding Protein 5 of Escherichia coli by Quantum Mechanics/Molecular Mechanics Calculations
Meroueh, Samy⋅Mobashery, Shahriar⋅Shi, Qicun and Fisher, Jed F
Journal of the American Chemical Society, vol. 130, (no. 29), pp. 9293-9303, 2008. | Journal Article
 
PDBcal: A Comprehensive Dataset for Receptor-Ligand Interactions with Three-dimensional Structures and Binding Thermodynamics from Isothermal Titration Calorimetry
Li, Liwei⋅Dantzer, Justin J⋅Nowacki, Jonathan⋅O'Callaghan, Brian J and Meroueh, Samy
Chemical biology & drug design., vol. 71, (no. 6), pp. 529-532, 2008. | Journal Article
 
The tyrosine phosphorylation of Munc18c induces a switch in binding specificity from syntaxin 4 to Doc2beta.
Jewell, Jenna L⋅Oh, Eunjin⋅Bennett, Sara M⋅Meroueh, Samy O and Thurmond, Debbie C
The Journal of biological chemistry, vol. 283, (no. 31), pp. 21734-21746, August 1, 2008. | Journal Article
2007
A Computational Investigation of Allostery in the Catabolite Activator Protein
Li, Liwei⋅Uversky, Vladimir N⋅Dunker, AKeith and Meroueh, Samy
Journal of the American Chemical Society, vol. 129, (no. 50), pp. 15668-15676, 2007. | Journal Article
 
Catalytic Mechanism of Penicillin-Binding Protein 5 of Escherichia coli
Zhang, W.⋅Shi, Q.⋅Meroueh, Samy⋅Vakulenko, Sergei and Mobashery, Shahriar
Biochemistry (Washington), vol. 46, (no. 35), pp. 10113-10121, 2007. | Journal Article
 
Conformational Transition in the Aminoacyl t-RNA Site of the Bacterial Ribosome both in the Presence and Absence of an Aminoglycoside Antibiotic
Meroueh, Samy and Mobashery, Shahriar
Chemical Biology & Drug Design, vol. 69, (no. 5), pp. 291-297, 2007. | Journal Article
 
Molecular structures and dynamics of the stepwise activation mechanism of a matrix metalloproteinase zymogen: challenging the cysteine switch dogma.
Rosenblum, Gabriel⋅Meroueh, Samy⋅Toth, Marta⋅Fisher, Jed F⋅Fridman, Rafael⋅Mobashery, Shahriar and Sagi, Irit
Journal of the American Chemical Society, vol. 129, (no. 44), pp. 13566-74, 2007/Nov/7. | Journal Article
 
Normal Mode Analysis Theoretical and Applications to Biological and Chemical Systems.
Meroueh, Samy
Briefings in Bioinformatics, vol. 8, (no. 5), pp. 378-379, Sep 2007. | Journal Article
2006
Design and characterization of a metalloproteinase inhibitor-tethered resin for the detection of active MMPs in biological samples.
Hesek, Dusan⋅Toth, Marta⋅Meroueh, Samy⋅Brown, Stephen⋅Zhao, Huiren⋅Sakr, Wael⋅Fridman, Rafael and Mobashery, Shahriar
Chemistry & biology, vol. 13, (no. 4), pp. 379-86, 2006/Apr. | Journal Article
 
Interactions of designer antibiotics and the bacterial ribosomal aminoacyl-tRNA site.
Murray, James B⋅Meroueh, Samy⋅Russell, Rupert⋅Lentzen, Georg⋅Haddad, Jalal and Mobashery, Shahriar
Chemistry & biology, vol. 13, (no. 2), pp. 129-38, 2006/Feb. | Journal Article
 
Thermodynamics of interactions of vancomycin and synthetic surrogates of bacterial cell wall.
Rekharsky, Mikhail⋅Hesek, Dusan⋅Lee, Mijoon⋅Meroueh, Samy⋅Inoue, Yoshihisa and Mobashery, Shahriar
Journal of the American Chemical Society, vol. 128, (no. 24), pp. 7736-7, 2006/Jun/21. | Journal Article
 
Three-dimensional structure of the bacterial cell wall peptidoglycan
Meroueh, Samy⋅Bencze, Krisztina Z⋅Hesek, Dusan⋅Lee, Mijoon⋅Fisher, Jed F⋅Stemmler, Timothy L and Mobashery, Shahriar
Proceedings of the National Academy of Sciences, USA, vol. 103, (no. 12), pp. 4404-4409, 2006. | Journal Article
2005
Ab initio QM/MM study of class A beta-lactamase acylation: dual participation of Glu166 and Lys73 in a concerted base promotion of Ser70.
Meroueh, Samy⋅Fisher, Jed F⋅Schlegel, H B and Mobashery, Shahriar
Journal of the American Chemical Society, vol. 127, (no. 44), pp. 15397-407, 2005/Nov/9. | Journal Article
 
Ab initio QM/MM study of class A beta-lactamase acylation: Dual participation of Glu166 and Lys73 in a concerted base promotion of Ser70d
Meroueh, Samy⋅Fisher, Jed⋅Schlegel, H. and Mobashery, Shahriar
Journal of the American Chemical Society, vol. 127, (no. 44), pp. 15397, 20051109. | Journal Article