Meroueh, Samy O.: шукати на сайті Z-Library

Рік:

2011

Мова:

english

Файл:

PDF, 1.49 MB

english, 2011

Molecular Recognition in a Diverse Set of Protein–Ligand Interactions Studied with Molecular Dynamics Simulations and End-Point Free Energy Calculations

Wang, Bo, Li, Liwei, Hurley, Thomas D., Meroueh, Samy O.

Журнал:

Jiangping Wang, Samy O. Meroueh, Yanfei Wang, William L. Hase

Рік:

2013

Мова:

english

Файл:

PDF, 3.10 MB

english, 2013

Efficiency of energy transfer in protonated diglycine and dialanine SID: Effects of collision angle, peptide ion size, and intramolecular potential

Журнал:

International Journal of Mass Spectrometry

Рік:

2003

Мова:

english

Файл:

PDF, 136 KB

english, 2003

Interactions of Designer Antibiotics and the Bacterial Ribosomal Aminoacyl-tRNA Site

James B. Murray, Samy O. Meroueh, Rupert J.M. Russell, Georg Lentzen, Jalal Haddad, Shahriar Mobashery

Журнал:

Chemistry & Biology

Рік:

2006

Мова:

english

Файл:

PDF, 530 KB

english, 2006

Design and Characterization of a Metalloproteinase Inhibitor-Tethered Resin for the Detection of Active MMPs in Biological Samples

Dusan Hesek, Marta Toth, Samy O. Meroueh, Stephen Brown, Huiren Zhao, Wael Sakr, Rafael Fridman, Shahriar Mobashery

Журнал:

Chemistry & Biology

Рік:

2006

Мова:

english

Файл:

PDF, 315 KB

english, 2006

Lysine carboxylation in proteins: OXA-10 β-lactamase

Jie Li, Jason B. Cross, Thom Vreven, Samy O. Meroueh, Shahriar Mobashery, H. Bernhard Schlegel

Журнал:

Proteins: Structure, Function, and Bioinformatics

Рік:

2005

Мова:

english

Файл:

PDF, 599 KB

english, 2005

Consensus scoring for enriching near-native structures from protein–protein docking decoys

Shide Liang, Samy O. Meroueh, Guangce Wang, Chao Qiu, Yaoqi Zhou

Журнал:

Proteins: Structure, Function, and Bioinformatics

Рік:

2009

Мова:

english

Файл:

PDF, 108 KB

english, 2009

Conformational Transition in the Aminoacyl t-RNA Site of the Bacterial Ribosome both in the Presence and Absence of an Aminoglycoside Antibiotic

Samy O. Meroueh, Shahriar Mobashery

Журнал:

Chemical Biology & Drug Design

Рік:

2007

Мова:

english

Файл:

PDF, 403 KB

english, 2007

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

Liwei Li, Justin J. Dantzer, Jonathan Nowacki, Brian J. O’Callaghan, Samy O. Meroueh

Журнал:

Chemical Biology & Drug Design

Рік:

2008

Мова:

english

Файл:

PDF, 144 KB

english, 2008

Cell surface association of matrix metalloproteinase-9 (gelatinase B)

Rafael Fridman, Marta Toth, Irina Chvyrkova, Samy O. Meroueh, Shahriar Mobashery

Журнал:

Cancer and Metastasis Reviews

Рік:

2003

Мова:

english

Файл:

PDF, 671 KB

english, 2003

A small molecule Inauhzin inhibits SIRT1 activity and suppresses tumour growth through activation of p53

Qi Zhang, Shelya X. Zeng, Yu Zhang, Yiwei Zhang, Derong Ding, Qizhuang Ye, Samy O. Meroueh, Hua Lu

Журнал:

EMBO Molecular Medicine

Рік:

2012

Мова:

english

Файл:

PDF, 1.21 MB

english, 2012

Discovery of novel regulators of aldehyde dehydrogenase isoenzymes

Bibek Parajuli, Ann C. Kimble-Hill, May Khanna, Yvelina Ivanova, Samy Meroueh, Thomas D. Hurley

Журнал:

Chemico-Biological Interactions

Рік:

2011

Мова:

english

Файл:

PDF, 443 KB

english, 2011

Structural Aspects for Evolution of β-Lactamases from Penicillin-Binding Proteins

Meroueh, Samy O., Minasov, George, Lee, Wenlin, Shoichet, Brian K., Mobashery, Shahriar

Журнал:

Рік:

2003

Мова:

english

Файл:

PDF, 566 KB

english, 2003

Target-Specific Support Vector Machine Scoring in Structure-Based Virtual Screening: Computational Validation, In Vitro Testing in Kinases, and Effects on Lung Cancer Cell Proliferation

Li, Liwei, Khanna, May, Jo, Inha, Wang, Fang, Ashpole, Nicole M., Hudmon, Andy, Meroueh, Samy O.

Журнал:

Bioorganic & Medicinal Chemistry

Рік:

2011

Мова:

english

Файл:

PDF, 849 KB

english, 2011

Design, synthesis, biochemical studies, cellular characterization, and structure-based computational studies of small molecules targeting the urokinase receptor

Fang Wang, W. Eric Knabe, Liwei Li, Inha Jo, Timmy Mani, Hartmut Roehm, Kyungsoo Oh, Jing Li, May Khanna, Samy O. Meroueh

Журнал:

Рік:

2012

Мова:

english

Файл:

PDF, 2.49 MB

english, 2012

Computational Investigation of Irreversible Inactivation of the Zinc-Dependent Protease Carboxypeptidase A

Cross, Jason B., Vreven, Thom, Meroueh, Samy O., Mobashery, Shahriar, Schlegel, H. Bernhard

Журнал:

Journal of Physical Chemistry B

Рік:

2005

Мова:

english

Файл:

PDF, 515 KB

english, 2005

Bacterial Resistance to β-Lactam Antibiotics: Compelling Opportunism, Compelling Opportunity †

Fisher, Jed F., Meroueh, Samy O., Mobashery, Shahriar

Журнал:

Chemical Reviews

Рік:

2005

Мова:

english

Файл:

PDF, 940 KB

english, 2005

Synthesis of Chiral 2-(4-Phenoxyphenylsulfonylmethyl)thiiranes as Selective Gelatinase Inhibitors

Lee, Mijoon, Bernardo, M. Margarida, Meroueh, Samy O., Brown, Stephen, Fridman, Rafael, Mobashery, Shahriar

Журнал:

Organic Letters

Рік:

2005

Мова:

english

Файл:

PDF, 164 KB

english, 2005

A Computational Evaluation of the Mechanism of Penicillin-Binding Protein-Catalyzed Cross-Linking of the Bacterial Cell Wall

Shi, Qicun, Meroueh, Samy O., Fisher, Jed F., Mobashery, Shahriar

Журнал:

Bioorganic & Medicinal Chemistry

Рік:

2011

Мова:

english

Файл:

PDF, 5.23 MB

english, 2011

Small-molecule inhibition of the uPAR·uPA interaction: Synthesis, biochemical, cellular, in vivo pharmacokinetics and efficacy studies in breast cancer metastasis

Mani, Timmy, Wang, Fang, Knabe, William Eric, Sinn, Anthony L., Khanna, May, Jo, Inha, Sandusky, George E., Sledge, George W., Jones, David R., Khanna, Rajesh, Pollok, Karen E., Meroueh, Samy O.

Журнал:

Рік:

2013

Мова:

english

Файл:

PDF, 1.21 MB

english, 2013

Strategy in Inhibition of Cathepsin B, A Target in Tumor Invasion and Metastasis

Lim, In Taek, Meroueh, Samy O., Lee, Mijoon, Heeg, Mary Jane, Mobashery, Shahriar

Журнал:

Kimble-Hill, Ann C., Younus, Hina, Meroueh, Samy, Hurley, Thomas D.

Рік:

2004

Мова:

english

Файл:

PDF, 252 KB

english, 2004

Computational Design of Protein Interfaces with Receptor Flexibility

Meroueh, Samy, Liang, Shide, Li, Liwei

Журнал:

Biophysical Journal

Рік:

2010

Мова:

english

Файл:

PDF, 34 KB

english, 2010

Structure Based Inhibition of Mitochondrial Aldehyde Dehydrogenase (ALDH2) Activity

Журнал:

Biophysical Journal

Рік:

2011

Мова:

english

Файл:

PDF, 34 KB

english, 2011

A Computational Investigation of Allostery in the Catabolite Activator Protein

Li, Liwei, Uversky, Vladimir N., Dunker, A. Keith, Meroueh, Samy O.

Журнал:

Meroueh, Samy O., Fisher, Jed F., Schlegel, H. Bernhard, Mobashery, Shahriar

Рік:

2007

Мова:

english

Файл:

PDF, 769 KB

english, 2007

Ab Initio QM/MM Study of Class A β-Lactamase Acylation: Dual Participation of Glu166 and Lys73 in a Concerted Base Promotion of Ser70

Журнал:

Shi, Qicun, Meroueh, Samy O., Fisher, Jed F., Mobashery, Shahriar

Рік:

2005

Мова:

english

Файл:

PDF, 786 KB

english, 2005

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

Журнал:

Zhang, Weilie, Shi, Qicun, Meroueh, Samy O., Vakulenko, Sergei B., Mobashery, Shahriar

Рік:

2008

Мова:

english

Файл:

PDF, 2.75 MB

english, 2008

Catalytic Mechanism of Penicillin-Binding Protein 5 of Escherichia coli †

Журнал:

Рік:

2007

Мова:

english

Файл:

PDF, 257 KB

english, 2007

Enrichment of Chemical Libraries Docked to Protein Conformational Ensembles and Application to Aldehyde Dehydrogenase 2

Wang, Bo, Buchman, Cameron D., Li, Liwei, Hurley, Thomas D., Meroueh, Samy O.

Журнал:

Meroueh, Samy O., Wang, Yanfei, Hase, William L.

Рік:

2014

Мова:

english

Файл:

PDF, 3.06 MB

english, 2014

Direct Dynamics Simulations of Collision- and Surface-Induced Dissociation of N-Protonated Glycine. Shattering Fragmentation †

Журнал:

Journal of Physical Chemistry A

Рік:

2002

Мова:

english

Файл:

PDF, 222 KB

english, 2002

Design, Synthesis, and Evaluation of a Mechanism-Based Inhibitor for Gelatinase A

Ikejiri, Masahiro, Bernardo, M. Margarida, Meroueh, Samy O., Brown, Stephen, Chang, Mayland, Fridman, Rafael, Mobashery, Shahriar

Журнал:

Journal of Organic Chemistry

Рік:

2005

Мова:

english

Файл:

PDF, 170 KB

english, 2005

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, Zhou, Yaoqi, Dunker, A. Keith, Meroueh, Samy O.

Журнал:

Рік:

2009

Мова:

english

Файл:

PDF, 8.91 MB

english, 2009

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, Sagi, Irit

Журнал:

Rekharsky, Mikhail, Hesek, Dusan, Lee, Mijoon, Meroueh, Samy O., Inoue, Yoshihisa, Mobashery, Shahriar

Рік:

2007

Мова:

english

Файл:

PDF, 1.58 MB

english, 2007

Thermodynamics of Interactions of Vancomycin and Synthetic Surrogates of Bacterial Cell Wall

Журнал:

Meroueh, Samy O., Roblin, Pierre, Golemi, Dasantila, Maveyraud, Laurent, Vakulenko, Sergei B., Zhang, Yun, Samama, Jean-Pierre, Mobashery, Shahriar

Рік:

2006

Мова:

english

Файл:

PDF, 79 KB

english, 2006

Molecular Dynamics at the Root of Expansion of Function in the M69L Inhibitor-Resistant TEM β-Lactamase from Escherichia c oli

Журнал:

Рік:

2002

Мова:

english

Файл:

PDF, 651 KB

english, 2002

Fluorinated Aminoglycosides and Their Mechanistic Implication for Aminoglycoside 3‘-Phosphotransferases from Gram-Negative Bacteria †

Kim, Choonkeun, Haddad, Jalal, Vakulenko, Sergei B., Meroueh, Samy O., Wu, Yan, Yan, Honggao, Mobashery, Shahriar

Журнал:

Wilkinson, Alan-Shaun, Bryant, Patrick K., Meroueh, Samy O., Page, Malcolm G. P., Mobashery, Shahriar, Wharton, Christopher W.

Рік:

2004

Мова:

english

Файл:

PDF, 146 KB

english, 2004

A Dynamic Structure for the Acyl−Enzyme Species of the Antibiotic Aztreonam with the Citrobacter freundii β-Lactamase Revealed by Infrared Spectroscopy and Molecular Dynamics Simulations †

Журнал:

ACS Medicinal Chemistry Letters

Рік:

2003

Мова:

english

Файл:

PDF, 347 KB

english, 2003

Probing Binding and Cellular Activity of Pyrrolidinone and Piperidinone Small Molecules Targeting the Urokinase Receptor

Mani, Timmy, Liu, Degang, Zhou, Donghui, Li, Liwei, Knabe, William Eric, Wang, Fang, Oh, Kyungsoo, Meroueh, Samy O.

Журнал:

ChemMedChem

Рік:

2013

Мова:

english

Файл:

PDF, 2.85 MB

english, 2013

Targeting Multiple Conformations Leads to Small Molecule Inhibitors of the uPAR·uPA Protein–Protein Interaction That Block Cancer Cell Invasion

Khanna, May, Wang, Fang, Jo, Inha, Knabe, W. Eric, Wilson, Sarah M., Li, Liwei, Bum-Erdene, Khuchtumur, Li, Jing, W. Sledge, George, Khanna, Rajesh, Meroueh, Samy O.

Журнал:

ACS Chemical Biology

Рік:

2011

Мова:

english

Файл:

PDF, 4.52 MB

english, 2011

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., Meroueh, Samy O.

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 2.17 MB

english, 2010

Analysis of structured and intrinsically disordered regions of transmembrane proteins

Xue, Bin, Li, Liwei, Meroueh, Samy O., Uversky, Vladimir N., Dunker, A. Keith

Журнал:

Molecular BioSystems

Рік:

2009

Мова:

english

Файл:

PDF, 1.82 MB

english, 2009

Exploring a structural protein–drug interactome for new therapeutics in lung cancer

Peng, Xiaodong, Wang, Fang, Li, Liwei, Bum-Erdene, Khuchtumur, Xu, David, Wang, Bo, Sinn, Anthony A., Pollok, Karen E., Sandusky, George E., Li, Lang, Turchi, John J., Jalal, Shadia I., Meroueh, Samy

Журнал:

Molecular BioSystems

Рік:

2014

Мова:

english

Файл:

PDF, 2.50 MB

english, 2014

A New Class of Orthosteric uPAR·uPA Small-Molecule Antagonists Are Allosteric Inhibitors of the uPAR·Vitronectin Interaction

Liu, Degang, Zhou, Donghui, Wang, Bo, Knabe, William Eric, Meroueh, Samy O.

Журнал:

ACS Chemical Biology

Рік:

2015

Мова:

english

Файл:

PDF, 2.94 MB

english, 2015

X-ray Crystal Structure of the Acylated β-Lactam Sensor Domain of BlaR1 from Staphylococcus aureus and the Mechanism of Receptor Activation for Signal Transduction

Birck, Catherine, Cha, Joo Young, Cross, Jason, Schulze-Briese, Clemens, Meroueh, Samy O., Schlegel, H. Bernhard, Mobashery, Shahriar, Samama, Jean-Pierre

Журнал:

Xu, David, Meroueh, Samy O.

Рік:

2004

Мова:

english

Файл:

PDF, 94 KB

english, 2004

Effect of Binding Pose and Modeled Structures on SVMGen and GlideScore Enrichment of Chemical Libraries

Журнал:

Рік:

2016

Мова:

english

Файл:

PDF, 1.83 MB

english, 2016

ChemInform Abstract: Probing Binding and Cellular Activity of Pyrrolidinone and Piperidinone Small Molecules Targeting the Urokinase Receptor.

Mani, Timmy, Liu, Degang, Zhou, Donghui, Li, Liwei, Knabe, William Eric, Wang, Fang, Oh, Kyungsoo, Meroueh, Samy O.

Журнал:

ChemInform

Рік:

2014

Файл:

PDF, 28 KB

2014

Small-Molecule Binding Sites to Explore Protein-Protein Interactions in the Cancer Proteome

Xu, David, Jalal, Shadia, Sledge, George, Meroueh, Samy

Журнал:

Molecular BioSystems

Рік:

2016

Мова:

english

Файл:

PDF, 2.77 MB

english, 2016

Cleavage at the stem region releases an active ectodomain of the membrane type 1 matrix metalloproteinase

TOTH, Marta, OSENKOWSKI, Pamela, HESEK, Dusan, BROWN, Stephen, MEROUEH, Samy, SAKR, Wael, MOBASHERY, Shahriar, FRIDMAN, Rafael

Журнал:

Biochemical Journal

Рік:

2005

Мова:

english

Файл:

PDF, 360 KB

english, 2005

Small Molecules Engage Hot Spots through Cooperative Binding To Inhibit a Tight Protein–Protein Interaction

Liu, Degang, Xu, David, Liu, Min, Knabe, William Eric, Yuan, Cai, Zhou, Donghui, Huang, Mingdong, Meroueh, Samy O.

Журнал: