Samy O Meroueh

发表

Structure-based computational approaches for small-molecule modulation of protein-protein interactions.

Bo Wang, David Xu, Samy O Meroueh, 2015, Methods in molecular biology.

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.

Samy O Meroueh, S. Meroueh, S. Mobashery, 2008, Journal of the American Chemical Society.

Exploring the molecular design of protein interaction sites with molecular dynamics simulations and free energy calculations.

A Keith Dunker, Wei-Lun Hsu, Shide Liang, 2009, Biochemistry.

A Computational Investigation of Small-Molecule Engagement of Hot Spots at Protein-Protein Interaction Interfaces

Samy O Meroueh, Yubing Si, S. Meroueh, 2017, J. Chem. Inf. Model..

Ab initio QM/MM study of class A beta-lactamase acylation: dual participation of Glu166 and Lys73 in a concerted base promotion of Ser70.

Samy O Meroueh, H. Schlegel, S. Meroueh, 2005, Journal of the American Chemical Society.

A new genetic subgroup of chronic granulomatous disease with autosomal recessive mutations in p40 phox and selective defects in neutrophil NADPH oxidase activity.

Xing Jun Li, Samy O Meroueh, Iwona Wrobel, 2009, Blood.

Analysis of structured and intrinsically disordered regions of transmembrane proteins.

A Keith Dunker, Vladimir N Uversky, Bin Xue, 2009, Molecular bioSystems.

Molecular dynamics at the root of expansion of function in the M69L inhibitor-resistant TEM beta-lactamase from Escherichia coli.

Yun Zhang, Laurent Maveyraud, Samy O Meroueh, 2002, Journal of the American Chemical Society.

Bacterial resistance to beta-lactam antibiotics: compelling opportunism, compelling opportunity.

Samy O Meroueh, S. Meroueh, S. Mobashery, 2005, Chemical reviews.

PDBcal: A Comprehensive Dataset for Receptor–Ligand Interactions with Three‐dimensional Structures and Binding Thermodynamics from Isothermal Titration Calorimetry

Samy O Meroueh, S. Meroueh, Liwei Li, 2008, Chemical biology & drug design.

A computational investigation of allostery in the catabolite activator protein.

A Keith Dunker, Vladimir N Uversky, Samy O Meroueh, 2007, Journal of the American Chemical Society.

Interactions of designer antibiotics and the bacterial ribosomal aminoacyl-tRNA site.

Samy O Meroueh, J. Murray, S. Meroueh, 2006, Chemistry & biology.

Targeting multiple conformations leads to small molecule inhibitors of the uPAR·uPA protein-protein interaction that block cancer cell invasion.

Jing Li, Rajesh Khanna, Samy O Meroueh, 2011, ACS chemical biology.

Structural aspects for evolution of beta-lactamases from penicillin-binding proteins.

Samy O Meroueh, Brian K Shoichet, B. Shoichet, 2003, Journal of the American Chemical Society.

Incorporating receptor flexibility in the molecular design of protein interfaces.

Shide Liang, Samy O Meroueh, Shide Liang, 2009, Protein engineering, design & selection : PEDS.

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.

Jing Li, Samy O Meroueh, May Khanna, 2010, ACS medicinal chemistry letters.