Follow
Demetri Moustakas
Demetri Moustakas
Principal Scientist, Relay Therapeutics
Verified email at demer.org
Title
Cited by
Cited by
Year
DOCK 6: Impact of new features and current docking performance
WJ Allen, TE Balius, S Mukherjee, SR Brozell, DT Moustakas, PT Lang, ...
Journal of computational chemistry 36 (15), 1132-1156, 2015
6952015
Development and validation of a modular, extensible docking program: DOCK 5
DT Moustakas, PT Lang, S Pegg, E Pettersen, ID Kuntz, N Brooijmans, ...
Journal of computer-aided molecular design 20 (10), 601-619, 2006
5442006
Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase
PW Snyder, J Mecinović, DT Moustakas, SW Thomas III, M Harder, ...
Proceedings of the National Academy of Sciences 108 (44), 17889-17894, 2011
3822011
The Necessary Nitrogen Atom: A Versatile High-Impact Design Element for Multiparameter Optimization
LD Pennington, DT Moustakas
Journal of Medicinal Chemistry, 2017
2682017
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
J Jansen, KC Reimer, JS Nagai, FS Varghese, GJ Overheul, M de Beer, ...
Cell stem cell 29 (2), 217-231. e8, 2022
1652022
Is it the shape of the cavity, or the shape of the water in the cavity?
PW Snyder, MR Lockett, DT Moustakas, GM Whitesides
The European Physical Journal Special Topics 223 (5), 853-891, 2014
1642014
Fragment-based lead discovery and design
D Joseph-McCarthy, AJ Campbell, G Kern, D Moustakas
Journal of chemical information and modeling 54 (3), 693-704, 2014
1582014
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, DT Moustakas, J Finer-Moore, RM Stroud
Proceedings of the National Academy of Sciences 100 (22), 12648-12653, 2003
1532003
Dependence of avidity on linker length for a bivalent ligand–bivalent receptor model system
ET Mack, PW Snyder, R Perez-Castillejos, B Bilgiçer, DT Moustakas, ...
Journal of the American Chemical Society 134 (1), 333-345, 2011
1172011
Pharmacophore‐based molecular docking to account for ligand flexibility
D Joseph‐McCarthy, BE Thomas IV, M Belmarsh, D Moustakas, ...
Proteins: Structure, Function, and Bioinformatics 51 (2), 172-188, 2003
1122003
Unraveling the interface of signal recognition particle and its receptor by using chemical cross-linking and tandem mass spectrometry
F Chu, S Shan, DT Moustakas, F Alber, PF Egea, RM Stroud, P Walter, ...
Proceedings of the National Academy of Sciences of the United States of …, 2004
1082004
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
J Mecinovic, PW Snyder, KA Mirica, S Bai, ET Mack, RL Kwant, ...
Journal of the American Chemical Society, 2011
962011
Evaluating free energies of binding and conservation of crystallographic waters using SZMAP
AS Bayden, DT Moustakas, D Joseph-McCarthy, ML Lamb
Journal of chemical information and modeling 55 (8), 1552-1565, 2015
872015
The first structure of an RNA m5C methyltransferase, Fmu, provides insight into catalytic mechanism and specific binding of RNA substrate
PG Foster, CR Nunes, P Greene, D Moustakas, RM Stroud
Structure 11 (12), 1609-1620, 2003
722003
Discovery of a potent respiratory syncytial virus RNA polymerase inhibitor
H Xiong, M Foulk, L Aschenbrenner, J Fan, CL Tiong-Yip, KD Johnson, ...
Bioorganic & medicinal chemistry letters 23 (24), 6789-6793, 2013
662013
Thermodynamic Parameters for the Association of Fluorinated Benzenesulfonamides with Bovine Carbonic Anhydrase II
VM Krishnamurthy, BR Bohall, CY Kim, DT Moustakas, DW Christianson, ...
Chemistry–An Asian Journal 2 (1), 94-105, 2007
642007
Increasing the net charge and decreasing the hydrophobicity of bovine carbonic anhydrase decreases the rate of denaturation with sodium dodecyl sulfate
KL Gudiksen, I Gitlin, DT Moustakas, GM Whitesides
Biophysical journal 91 (1), 298-310, 2006
552006
Complexes of native Ubiquitin and dodecyl sulfate illustrate the nature of hydrophobic and electrostatic interactions in the binding of proteins and surfactants
BF Shaw, GF Schneider, H Arthanari, M Narovlyansky, D Moustakas, ...
Journal of the American Chemical Society 133 (44), 17681-17695, 2011
542011
COVID moonshot: open science discovery of SARS-CoV-2 main protease inhibitors by combining crowdsourcing, high-throughput experiments, computational simulations, and machine …
H Achdout, A Aimon, E Bar-David, H Barr, A Ben-Shmuel, J Bennett, ...
bioRxiv, 2020
532020
Design of a Heterobivalent Ligand to Inhibit IgE Clustering on Mast Cells
MW Handlogten, T Kiziltepe, DT Moustakas, B Bilgiçer
Chemistry & Biology 18 (9), 1179-1188, 2011
482011
The system can't perform the operation now. Try again later.
Articles 1–20