Works matching AU Abagyan, Ruben

Results: 129

The Liganding of Glycolipid Transfer Protein Is Controlled by Glycolipid Acyl Structure.

Published in:

PLoS Biology, 2006, v. 4, n. 11, p. 1996, doi. 10.1371/journal.pbio.0040362

By:

Malinina, Lucy;
Malakhova, Margarita L.;
Kanack, Alex T.;
Min Lu;
Abagyan, Ruben;
Brown, Rhoderick E.;
Patel, Dinshaw J.

Publication type:

Article

A Metal-Based Inhibitor of Tumor Necrosis Factor-α.

Published in:

Angewandte Chemie, 2012, v. 124, n. 36, p. 9144, doi. 10.1002/ange.201202937

By:

Leung, Chung-Hang;
Zhong, Hai-Jing;
Yang, Hui;
Cheng, Zhen;
Chan, Daniel Shiu-Hin;
Ma, Victor Pui-Yan;
Abagyan, Ruben;
Wong, Chun-Yuen;
Ma, Dik-Lung

Publication type:

Article

Structure-Based Discovery of Natural-Product-like TNF-α Inhibitors.

Published in:

Angewandte Chemie, 2010, v. 122, n. 16, p. 2922, doi. 10.1002/ange.200907360

By:

Chan, Daniel Shiu-Hin;
Lee, Ho-Man;
Yang, Fang;
Che, Chi-Ming;
Wong, Catherine C. L.;
Abagyan, Ruben;
Leung, Chung-Hang;
Ma, Dik-Lung

Publication type:

Article

Inhibition of PDE5A1 guanosine cyclic monophosphate ( cGMP) hydrolysing activity by sildenafil analogues that inhibit cellular cGMP efflux.

Published in:

Journal of Pharmacy & Pharmacology, 2017, v. 69, n. 6, p. 675, doi. 10.1111/jphp.12693

By:

Subbotina, Anna;
Ravna, Aina W.;
Lysaa, Roy A.;
Abagyan, Ruben;
Bugno, Ryszard;
Sager, Georg

Publication type:

Article

Anti-TNF-α therapy induced psoriasis in rheumatoid arthritis patients according to FDA postmarketing surveillance data.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-37010-6

By:

Joulfayan, Haroutyun;
Makunts, Tigran;
Abagyan, Ruben

Publication type:

Article

Co-Occurring Infections in Cancer Patients Treated with Checkpoint Inhibitors Significantly Increase the Risk of Immune-Related Adverse Events.

Published in:

Cancers, 2024, v. 16, n. 16, p. 2820, doi. 10.3390/cancers16162820

By:

Grabska, Siranuysh;
Grabski, Hovakim;
Makunts, Tigran;
Abagyan, Ruben

Publication type:

Article

Tyrosine Phosphorylation of the Gα-Interacting Protein GIV Promotes Activation of Phosphoinositide 3-Kinase During Cell Migration.

Published in:

Science Signaling, 2011, v. 4, n. 192, p. 1, doi. 10.1126/scisignal.2002049

By:

Lin, Changsheng;
Ear, Jason;
Pavlova, Yelena;
Mittal, Yash;
Kufareva, Irina;
Ghassemian, Majid;
Abagyan, Ruben;
Garcia-Marcos, Mikel;
Ghosh, Pradipta

Publication type:

Article

Antineoplastic kinase inhibitors: A new class of potent anti-amoebic compounds.

Published in:

PLoS Neglected Tropical Diseases, 2021, v. 15, n. 2, p. 1, doi. 10.1371/journal.pntd.0008425

By:

Sauvey, Conall;
Ehrenkaufer, Gretchen;
Shi, Da;
Debnath, Anjan;
Abagyan, Ruben

Publication type:

Article

High-throughput phenotypic screen identifies a new family of potent anti-amoebic compounds.

Published in:

PLoS ONE, 2023, v. 18, n. 5, p. 1, doi. 10.1371/journal.pone.0280232

By:

Sauvey, Conall;
Meewan, Ittipat;
Ehrenkaufer, Gretchen;
Blevitt, Jonathan;
Jackson, Paul;
Abagyan, Ruben

Publication type:

Article

Homology modeling and ligand docking of Mitogen-activated protein kinase-activated protein kinase 5 (MK5).

Published in:

Theoretical Biology & Medical Modelling, 2013, v. 10, n. 1, p. 1, doi. 10.1186/1742-4682-10-56

By:

Lindin, Inger;
Yimingjiang Wuxiuer;
Kufareva, Irina;
Abagyan, Ruben;
Moens, Ugo;
Sylte, Ingebrigt;
Ravna, Aina Westrheim

Publication type:

Article

BioSuper: A web tool for the superimposition of biomolecules and assemblies with rotational symmetry.

Published in:

BMC Structural Biology, 2013, v. 13, p. 1, doi. 10.1186/1472-6807-13-32

By:

Rueda, Manuel;
Orozco, Modesto;
Totrov, Maxim;
Abagyan, Ruben

Publication type:

Article

Structural model of nicotinic acetylcholine receptor isotypes bound to acetylcholine and nicotine.

Published in:

BMC Structural Biology, 2002, v. 2, p. 1, doi. 10.1186/1472-6807-2-1

By:

Schapira, Matthieu;
Abagyan, Ruben;
Totrov, Maxim

Publication type:

Article

In silico discovery of novel Retinoic Acid Receptor agonist structures.

Published in:

BMC Structural Biology, 2001, v. 1, p. 1, doi. 10.1186/1472-6807-1-1

By:

Schapira, Matthieu;
Raaka, Bruce M.;
Samuels, Herbert H.;
Abagyan, Ruben

Publication type:

Article

Crosslinking-guided geometry of a complete CXC receptor-chemokine complex and the basis of chemokine subfamily selectivity.

Published in:

PLoS Biology, 2020, v. 18, n. 4, p. 1, doi. 10.1371/journal.pbio.3000656

By:

Ngo, Tony;
Stephens, Bryan S.;
Gustavsson, Martin;
Holden, Lauren G.;
Abagyan, Ruben;
Handel, Tracy M.;
Kufareva, Irina

Publication type:

Article

Interactive JIMD articles using the iSee concept: turning a new page on structural biology data.

Published in:

2011

By:

Lee, Wen;
Yue, Wyatt;
Raush, Eugene;
Totrov, Maxim;
Abagyan, Ruben;
Oppermann, Udo;
Marsden, Brian

Publication type:

Editorial

Concomitant drugs associated with increased mortality for MDMA users reported in a drug safety surveillance database.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-85389-x

By:

Cohen, Isaac V.;
Makunts, Tigran;
Abagyan, Ruben;
Thomas, Kelan

Publication type:

Article

Cardiac adverse events associated with chloroquine and hydroxychloroquine exposure in 20 years of drug safety surveillance reports.

Published in:

Scientific Reports, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41598-020-76258-0

By:

Cohen, Isaac V.;
Makunts, Tigran;
Moumedjian, Talar;
Issa, Masara A.;
Abagyan, Ruben

Publication type:

Article

Postmarketing safety surveillance data reveals antidepressant effects of botulinum toxin across various indications and injection sites.

Published in:

Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-69773-7

By:

Makunts, Tigran;
Wollmer, Marc Axel;
Abagyan, Ruben

Publication type:

Article

The anthelmintic praziquantel is a human serotoninergic G-protein-coupled receptor ligand.

Published in:

Nature Communications, 2017, v. 8, n. 1, p. 1, doi. 10.1038/s41467-017-02084-0

By:

Chan, John D.;
Gunaratne, Gihan S.;
Yang Yang;
Marchant, Jonathan S.;
Cupit, Pauline M.;
Abagyan, Ruben;
McCorvy, John D.;
Roth, Bryan L.;
Stoltz, Kristen;
Dosa, Peter I.;
Webb, Thomas R.;
Cunningham, Charles

Publication type:

Article

Recommendations for Improving Methods and Models for Aquatic Hazard Assessment of Ionizable Organic Chemicals.

Published in:

Environmental Toxicology & Chemistry, 2020, v. 39, n. 2, p. 269, doi. 10.1002/etc.4602

By:

Escher, Beate I.;
Abagyan, Ruben;
Embry, Michelle;
Klüver, Nils;
Redman, Aaron D.;
Zarfl, Christiane;
Parkerton, Thomas F.

Publication type:

Article

Efficient parallelization of the energy, surface, and derivative calculations for internal coordinate mechanics.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 10, p. 1105, doi. 10.1002/jcc.540151006

By:

Totrov, Maxim;
Abagyan, Ruben

Publication type:

Article

ICM-A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation.

Published in:

Journal of Computational Chemistry, 1994, v. 15, n. 5, p. 488, doi. 10.1002/jcc.540150503

By:

Abagyan, Ruben;
Totrov, Maxim;
Kuznetsov, Dmitry

Publication type:

Article

A new method for modeling large-scale rearrangements of protein domains.

Published in:

Proteins, 1997, v. 27, n. 3, p. 410, doi. 10.1002/(SICI)1097-0134(199703)27:3<410::AID-PROT9>3.0.CO;2-G

By:

Maiorov, Vladimir;
Abagyan, Ruben

Publication type:

Article

Homology modeling with internal coordinate mechanics: Deformation zone mapping and improvements of models via conformational search.

Published in:

Proteins, 1997, v. 29, n. S1, p. 29, doi. 10.1002/(SICI)1097-0134(1997)1+<29::AID-PROT5>3.0.CO;2-J

By:

Abagyan, Ruben;
Batalov, Serge;
Cardozo, Timothy;
Totrov, Maxim;
Webber, Jeremy;
Zhou, Yingyao

Publication type:

Article

Flexible protein-ligand docking by global energy optimization in internal coordinates.

Published in:

Proteins, 1997, v. 29, n. S1, p. 215, doi. 10.1002/(SICI)1097-0134(1997)1+<215::AID-PROT29>3.0.CO;2-Q

By:

Totrov, Maxim;
Abagyan, Ruben

Publication type:

Article

Homology modeling by the ICM method.

Published in:

Proteins, 1995, v. 23, n. 3, p. 403, doi. 10.1002/prot.340230314

By:

Cardozo, Timothy;
Totrov, Maxim;
Abagyan, Ruben

Publication type:

Article

Recognition of distantly related proteins through energy calculations.

Published in:

Proteins, 1994, v. 19, n. 2, p. 132, doi. 10.1002/prot.340190206

By:

Abagyan, Ruben;
Frishman, Dmitrij;
Argos, Patrick

Publication type:

Article

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE).

Published in:

FASEB Journal, 2008, v. 22, p. 333, doi. 10.1096/fasebj.22.2_supplement.333

By:

Bottegoni, Giovanni;
Kufareva, Irina;
Totrov, Maxim;
Abagyan, Ruben

Publication type:

Article

Probing the Activator Specificity of Rhodospirillum rubrum ADPGlucose Pyrophosphorylase.

Published in:

FASEB Journal, 2007, v. 21, n. 6, p. A1018, doi. 10.1096/fasebj.21.6.a1018-a

By:

Wiig, Jared;
Doshi, Dhaval;
Amer, Adeel;
Amin, Chintan;
Charoensak, Piranid;
Orry, Andrew;
Abagyan, Ruben;
Meyer, Christopher R.

Publication type:

Article

Characterization of Thermus thermophilus ADPGlucose Pyrophosphorylase.

Published in:

FASEB Journal, 2007, v. 21, n. 5, p. A642, doi. 10.1096/fasebj.21.5.a642-d

By:

Gonzalez, Jacob;
Watanabe, Go;
Orry, Andrew;
Abagyan, Ruben;
Meyer, Christopher R.

Publication type:

Article

Druggable exosites of the human kino-pocketome.

Published in:

Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 3, p. 219, doi. 10.1007/s10822-019-00276-y

By:

Nicola, George;
Kufareva, Irina;
Ilatovskiy, Andrey V.;
Abagyan, Ruben

Publication type:

Article

Macrocycle modeling in ICM: benchmarking and evaluation in D3R Grand Challenge 4.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1057, doi. 10.1007/s10822-019-00225-9

By:

Lam, Polo C.-H.;
Abagyan, Ruben;
Totrov, Maxim

Publication type:

Article

Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3.

Published in:

Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 1, p. 35, doi. 10.1007/s10822-018-0139-5

By:

Lam, Polo C.-H.;
Abagyan, Ruben;
Totrov, Maxim

Publication type:

Article

Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach.

Published in:

Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 1, p. 187, doi. 10.1007/s10822-017-0058-x

By:

Lam, Polo C.-H.;
Abagyan, Ruben;
Totrov, Maxim

Publication type:

Article

Docking and scoring with ICM: the benchmarking results and strategies for improvement.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 6, p. 675, doi. 10.1007/s10822-012-9547-0

By:

Neves, Marco;
Totrov, Maxim;
Abagyan, Ruben

Publication type:

Article

Computational chemistry in 25 years.

Published in:

Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 1, p. 9, doi. 10.1007/s10822-011-9516-z

By:

Abagyan, Ruben

Publication type:

Article

Structure of the human histamine H<sub>1</sub> receptor complex with doxepin.

Published in:

Nature, 2011, v. 475, n. 7354, p. 65, doi. 10.1038/nature10236

By:

Shimamura, Tatsuro;
Shiroishi, Mitsunori;
Weyand, Simone;
Tsujimoto, Hirokazu;
Winter, Graeme;
Katritch, Vsevolod;
Abagyan, Ruben;
Cherezov, Vadim;
Wei Liu;
Han, Gye Won;
Kobayashi, Takuya;
Stevens, Raymond C.;
Iwata, So

Publication type:

Article

Identification of new benzamide inhibitor against α-subunit of tryptophan synthase from Mycobacterium tuberculosis through structure-based virtual screening, anti-tuberculosis activity and molecular dynamics simulations.

Published in:

Journal of Biomolecular Structure & Dynamics, 2019, v. 37, n. 4, p. 1043, doi. 10.1080/07391102.2018.1448303

By:

Naz, Sadia;
Farooq, Umar;
Ali, Sajid;
Sarwar, Rizwana;
Khan, Sara;
Abagyan, Ruben

Publication type:

Article

Discovery of novel membrane binding structures and functions<sup>1</sup>.

Published in:

Biochemistry & Cell Biology, 2014, v. 92, n. 6, p. 555, doi. 10.1139/bcb-2014-0074

By:

Kufareva, Irina;
Lenoir, Marc;
Dancea, Felician;
Sridhar, Pooja;
Raush, Eugene;
Bissig, Christin;
Gruenberg, Jean;
Abagyan, Ruben;
Overduin, Michael

Publication type:

Article

Structure-based Design, Synthesis, and Biological Evaluation of Isatin Derivatives as Potential Glycosyltransferase Inhibitors.

Published in:

Chemical Biology & Drug Design, 2014, v. 84, n. 6, p. 685, doi. 10.1111/cbdd.12361

By:

Wang, Yong;
Chan, Fung ‐ Yi;
Sun, Ning;
Lui, Hok ‐ Kiu;
So, Pui ‐ Kin;
Yan, Siu ‐ Cheong;
Chan, Kin ‐ Fai;
Chiou, Jiachi;
Chen, Sheng;
Abagyan, Ruben;
Leung, Yun ‐ Chung;
Wong, Kwok ‐ Yin

Publication type:

Article

Synthesis, Antidepressant Evaluation and Docking Studies of Long-Chain Alkylnitroquipazines as Serotonin Transporter Inhibitors.

Published in:

Chemical Biology & Drug Design, 2013, v. 81, n. 6, p. 695, doi. 10.1111/cbdd.12116

By:

Gabrielsen, Mari;
Wołosewicz, Karol;
Zawadzka, Anna;
Kossakowski, Jerzy;
Nowak, Gabriel;
Wolak, Małgorzata;
Stachowicz, Katarzyna;
Siwek, Agata;
Ravna, Aina W.;
Kufareva, Irina;
Kozerski, Lech;
Bednarek, Elżbieta;
Sitkowski, Jerzy;
Bocian, Wojciech;
Abagyan, Ruben;
Bojarski, Andrzej J.;
Sylte, Ingebrigt;
Chilmonczyk, Zdzisław

Publication type:

Article

Reported Cases of Serotonin Syndrome in MDMA Users in FAERS Database.

Published in:

Frontiers in Psychiatry, 2022, v. 13, p. 1, doi. 10.3389/fpsyt.2021.824288

By:

Makunts, Tigran;
Jerome, Lisa;
Abagyan, Ruben;
de Boer, Alberdina

Publication type:

Article

Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015).

Published in:

Pure & Applied Chemistry, 2016, v. 88, n. 3, p. 239, doi. 10.1515/pac-2012-1204

By:

Martin, Yvonne C.;
Abagyan, Ruben;
Ferenczy, György G.;
Gillet, Val J.;
Oprea, Tudor I.;
Ulander, Johan;
Winkler, David;
Zefirov, Nicolai S.

Publication type:

Article

Depression Events Associated with Proton-Pump Inhibitors in Postmarketing Drug Surveillance Data.

Published in:

Pharmacoepidemiology (2813-0618), 2023, v. 2, n. 3, p. 272, doi. 10.3390/pharma2030023

By:

Makunts, Tigran;
Joulfayan, Haroutyun;
Ta, Kenneth;
Abagyan, Ruben

Publication type:

Article

The GPCR Network: a large-scale collaboration to determine human GPCR structure and function.

Published in:

Nature Reviews Drug Discovery, 2013, v. 12, n. 1, p. 25, doi. 10.1038/nrd3859

By:

Stevens, Raymond C.;
Cherezov, Vadim;
Katritch, Vsevolod;
Abagyan, Ruben;
Kuhn, Peter;
Rosen, Hugh;
Wüthrich, Kurt

Publication type:

Article

Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.

Published in:

Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-52141-5

By:

Kufareva, Irina;
Bestgen, Benoit;
Brear, Paul;
Prudent, Renaud;
Laudet, Béatrice;
Moucadel, Virginie;
Ettaoussi, Mohamed;
Sautel, Celine F.;
Krimm, Isabelle;
Engel, Matthias;
Filhol, Odile;
Borgne, Marc Le;
Lomberget, Thierry;
Cochet, Claude;
Abagyan, Ruben

Publication type:

Article

Retrospective analysis reveals significant association of hypoglycemia with tramadol and methadone in contrast to other opioids.

Published in:

Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-48955-y

By:

Makunts, Tigran;
U, Andrew;
Atayee, Rabia S.;
Abagyan, Ruben

Publication type:

Article

A Thiazole Orange Derivative Targeting the Bacterial Protein FtsZ Shows Potent Antibacterial Activity.

Published in:

Frontiers in Microbiology, 2017, v. 8, p. 1, doi. 10.3389/fmicb.2017.00855

By:

Ning Sun;
Yu-Jing Lu;
Fung-Yi Chan;
Ruo-Lan Du;
Yuan-yuan Zheng;
Kun Zhang;
Lok-Yan So;
Ruben Abagyan;
Chao Zhuo;
Yun-Chung Leung;
Kwok-Yin Wong

Publication type:

Article

In silico discovery of small molecules that inhibit RfaH recruitment to RNA polymerase.

Published in:

Molecular Microbiology, 2018, v. 110, n. 1, p. 128, doi. 10.1111/mmi.14093

By:

Svetlov, Dmitri;
Shi, Da;
Twentyman, Joy;
Nedialkov, Yuri;
Rosen, David A.;
Abagyan, Ruben;
Artsimovitch, Irina

Publication type:

Article

Analysis of full and partial agonists binding to β.

Published in:

Journal of Molecular Recognition, 2009, v. 22, n. 4, p. 307, doi. 10.1002/jmr.949

By:

Katritch, Vsevolod;
Reynolds, Kimberly A.;
Cherezov, Vadim;
Hanson, Michael A.;
Roth, Christopher B.;
Yeager, Mark;
Abagyan, Ruben

Publication type:

Article