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Sukrit Singh
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The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA
J Cubuk, JJ Alston, JJ Incicco, S Singh, MD Stuchell-Brereton, MD Ward, ...
Nature Communications 12 (1), 1-17, 2021
4392021
SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome
MI Zimmerman, JR Porter, MD Ward, S Singh, N Vithani, A Meller, ...
Nature chemistry 13 (7), 651-659, 2021
240*2021
SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential
N Vithani, MD Ward, MI Zimmerman, B Novak, JH Borowsky, S Singh, ...
Biophysical Journal 120 (14), 2880-2889, 2021
682021
Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor
CA Brosey, C Ho, WZ Long, S Singh, K Burnett, GL Hura, JC Nix, ...
Structure 24 (12), 2067-2079, 2016
572016
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, ...
Science 382 (6671), eabo7201, 2023
56*2023
Simulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding
X Sun, S Singh, KJ Blumer, GR Bowman
eLife 7, e38465, 2018
502018
Quantifying allosteric communication via both concerted structural changes and conformational disorder with CARDS
S Singh, GR Bowman
Journal of Chemical Theory and Computation 13 (4), 1509-1517, 2017
482017
Structural conservation and functional diversity of the poxvirus immune evasion (PIE) domain superfamily
CA Nelson, ML Epperson, S Singh, JI Elliott, DH Fremont
Viruses 7 (9), 4873-4893, 2015
402015
MEN1 mutations mediate clinical resistance to menin inhibition
F Perner, EM Stein, DV Wenge, S Singh, J Kim, A Apazidis, ...
Nature 615 (7954), 913-919, 2023
352023
A cryptic pocket in Ebola VP35 allosterically controls RNA binding
MA Cruz, TE Frederick, U Mallimadugula, S Singh, N Vithani, ...
Nature Communications 13 (2269), 2021
30*2021
Lithium protects against glucocorticoid induced neural progenitor cell apoptosis in the developing cerebellum
O Cabrera, J Dougherty, S Singh, BS Swiney, NB Farber, KK Noguchi
Brain research 1545, 54-63, 2014
292014
The small molecule JIB-04 disrupts O 2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A
B Cascella, SG Lee, S Singh, JM Jez, LM Mirica
Chemical Communications 53 (13), 2174-2177, 2017
282017
Opening of a cryptic pocket in β-lactamase increases penicillinase activity
CR Knoverek, UL Mallimadugula, S Singh, E Renella, TE Frederick, ...
Proceedings of the National Academy of Sciences 118 (47), 2021
172021
Antagonism between substitutions in β-lactamase explains a path not taken in the evolution of bacterial drug resistance
CA Brown, L Hu, Z Sun, MP Patel, S Singh, JR Porter, B Sankaran, ...
Journal of Biological Chemistry 295 (21), 7376-7390, 2020
162020
Design, synthesis, and biological evaluation of stable β6. 3-Helices: Discovery of non-hemolytic antibacterial peptides
DN Reddy, S Singh, CMW Ho, J Patel, P Schlesinger, S Rodgers, ...
European journal of medicinal chemistry 149, 193-210, 2018
102018
Identifying and overcoming the sampling challenges in relative binding free energy calculations of a model protein: protein complex
I Zhang, DA Rufa, I Pulido, MM Henry, LE Rosen, K Hauser, S Singh, ...
J. Chem. Theory Comput., 19, 15, 4863–4882, 2023
82023
Mechanistic Basis for ATP-Dependent Inhibition of Glutamine Synthetase by Tabtoxinine-β-lactam
GJ Patrick, L Fang, J Schaefer, S Singh, GR Bowman, TA Wencewicz
Biochemistry 57 (1), 117-135, 2018
82018
Dexmedetomidine protects against glucocorticoid induced progenitor cell apoptosis in neonatal mouse cerebellum
SD O’Connor, OH Cabrera, JD Dougherty, S Singh, BS Swiney, ...
The Journal of Maternal-Fetal & Neonatal Medicine 30 (18), 2156-2162, 2017
42017
Death by a Thousand Cuts—Combining Kinase Inhibitors for Selective Target Inhibition and Rational Polypharmacology
IR Outhwaite, S Singh, BT Berger, S Knapp, JD Chodera, MA Seeliger
bioRxiv, 2023.01. 13.523972, 2023
12023
Death by a thousand cuts through kinase inhibitor combinations that maximize selectivity and enable rational multitargeting
IR Outhwaite, S Singh, BT Berger, S Knapp, JD Chodera, MA Seeliger
Elife 12, e86189, 2023
2023
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Articles 1–20