Unraveling the interface of signal recognition particle and its receptor by using chemical cross-linking and tandem mass spectrometry
F. Chu , S.-o. Shan , D. T. Moustakas , F. Alber
Proceedings of the National Academy of Sciences of the United States of America 101 ( 47) 16454 -16459
109
2004
Structure of tRNA pseudouridine synthase TruB and its RNA complex: RNA recognition through a combination of rigid docking and induced fit.
H. Pan , S. Agarwalla , D. T. Moustakas , J. Finer-Moore
Proceedings of the National Academy of Sciences of the United States of America 100 ( 22) 12648 -12653
104
2003
Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
P. W. Snyder , J. Mecinovic , D. T. Moustakas , S. W. Thomas
Proceedings of the National Academy of Sciences of the United States of America 108 ( 44) 17889 -17894
352
2011
Novel rapidly diversifiable antimicrobial RNA polymerase switch region inhibitors with confirmed mode of action in Haemophilus influenzae
E. T. Buurman , M. A. Foulk , N. Gao , V. A. Laganas
Journal of Bacteriology 194 ( 20) 5504 -5512
25
2012
Thermodynamic parameters for the association of fluorinated benzenesulfonamides with bovine carbonic anhydrase II.
Vijay M. Krishnamurthy , Brooks R. Bohall , Chu-Young Kim , Demetri T. Moustakas
Chemistry-an Asian Journal 2 ( 1) 94 -105
37
2007
Design of a Heterobivalent Ligand to Inhibit IgE Clustering on Mast Cells
Michael W. Handlogten , Tanyel Kiziltepe , Demetri T. Moustakas , Başar Bilgiçer
Chemistry & Biology 18 ( 9) 1179 -1188
30
2011
Application of Docking Methods to Structure-Based Drug Design
DEMETRI T MOUSTAKAS
Computational and Structural Approaches to Drug Discovery: Ligand-protein Interactions 8 155 -155
1
2008
SYNTHETIC TRIVALENT HAPTENS, COMPLEXES THEREOF, AND USES THEREFOR
ZIHNI BASAR BILGICER , DEMETRI T MOUSTAKAS , GEORGE M WHITESIDES
A Practical Guide to DOCK 5
Demetri Moustakas , Scott Pegg , Irwin Kuntz
CRC Press 303 -326
11
2005
Complexes of Native Ubiquitin and Dodecyl Sulfate Illustrate the Nature of Hydrophobic and Electrostatic Interactions in the Binding of Proteins and Surfactants
Bryan F. Shaw , Grégory F. Schneider , Haribabu Arthanari , Max Narovlyansky
Journal of the American Chemical Society 133 ( 44) 17681 -17695
28
2011
The first structure of an RNA m5C methyltransferase, Fmu, provides insight into catalytic mechanism and specific binding of RNA substrate.
Paul G Foster , Christa R Nunes , Patricia Greene , Demetri Moustakas
Structure 11 ( 12) 1609 -1620
46
2003
Pharmacophore-based molecular docking to account for ligand flexibility.
Diane Joseph-McCarthy , Bert E. Thomas , Michael Belmarsh , Demetri Moustakas
Proteins 51 ( 2) 172 -188
66
2003
Discovery of a potent respiratory syncytial virus RNA polymerase inhibitor.
Hui Xiong , Melinda Foulk , Lisa Aschenbrenner , Jun Fan
Bioorganic & Medicinal Chemistry Letters 23 ( 24) 6789 -6793
40
2013
Virtual fragment screening: exploration of MM-PBSA re-scoring
Sameer Kawatkar , Demetri Moustakas , Matthew Miller , Diane Joseph-McCarthy
Journal of Computer-aided Molecular Design 26 ( 8) 921 -934
8
2012
Synthesis and Conformational Study of Water‐Soluble, Rigid, Rodlike Oligopiperidines
Vincent Semetey , Demetri Moustakas , George M. Whitesides
Angewandte Chemie 45 ( 4) 588 -591
12
2006
Fragment-Based Lead Discovery and Design
Diane Joseph-McCarthy , Arthur J. Campbell , Gunther Kern , Demetri Moustakas
Journal of Chemical Information and Modeling 54 ( 3) 693 -704
88
2014
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
Jitske Jansen , Katharina C Reimer , James S Nagai , Finny S Varghese
Cell Stem Cell 29 ( 2) 217 -231
80
2022
Molecular docking and structure-based design
P Therese Lang , Tiba Aynechi , Demetri Moustakas , Brian Shoichet
Drug Discovery Research: New Frontiers in the Post-Genomic Era 3 -23
14
2007
COVID moonshot: open science discovery of SARS-CoV-2 main protease inhibitors by combining crowdsourcing, high-throughput experiments, computational simulations, and machine learning
Hagit Achdout , Anthony Aimon , Elad Bar-David , Haim Barr
BioRxiv
54
2020
Open science discovery of oral non-covalent SARS-CoV-2 main protease inhibitor therapeutics
Hagit Achdout , Anthony Aimon , Elad Bar-David , Haim Barr
bioRxiv 2020.10. 29.339317 -2020.10. 29.339317
36
2021