Barun Bhhatarai
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Allosteric inhibition of the IRE1α RNase preserves cell viability and function during endoplasmic reticulum stress
R Ghosh, L Wang, ES Wang, BGK Perera, A Igbaria, S Morita, K Prado, ...
Cell 158 (3), 534-548, 2014
Divergent allosteric control of the IRE1α endoribonuclease using kinase inhibitors
L Wang, BGK Perera, SB Hari, B Bhhatarai, BJ Backes, MA Seeliger, ...
Nature chemical biology 8 (12), 982-989, 2012
Prediction of aqueous solubility, vapor pressure and critical micelle concentration for aquatic partitioning of perfluorinated chemicals
B Bhhatarai, P Gramatica
Environmental science & technology 45 (19), 8120-8128, 2011
Novel selective allosteric and bitopic ligands for the S1P3 receptor
E Jo, B Bhhatarai, E Repetto, M Guerrero, S Riley, SJ Brown, Y Kohno, ...
ACS chemical biology 7 (12), 1975-1983, 2012
A sphingosine 1-phosphate receptor 2 selective allosteric agonist
H Satsu, MT Schaeffer, M Guerrero, A Saldana, C Eberhart, P Hodder, ...
Bioorganic & medicinal chemistry 21 (17), 5373-5382, 2013
Per-and Polyfluoro Toxicity (LC50 Inhalation) Study in Rat and Mouse Using QSAR Modeling
B Bhhatarai, P Gramatica
Chemical research in toxicology 23 (3), 528-539, 2010
GPCR ontology: development and application of a G protein-coupled receptor pharmacology knowledge framework
MJ Przydzial, B Bhhatarai, A Koleti, U Vempati, SC Schürer
Bioinformatics 29 (24), 3211-3219, 2013
Modelling physico-chemical properties of (benzo) triazoles, and screening for environmental partitioning
B Bhhatarai, P Gramatica
Water research 45 (3), 1463-1471, 2011
Alternative approaches for identifying acute systemic toxicity: Moving from research to regulatory testing
J Hamm, K Sullivan, AJ Clippinger, J Strickland, S Bell, B Bhhatarai, ...
Toxicology in Vitro 41, 245-259, 2017
CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals
B Bhhatarai, W Teetz, T Liu, T Öberg, N Jeliazkova, N Kochev, O Pukalov, ...
Molecular Informatics 30 (2‐3), 189-204, 2011
From SAR to comparative QSAR: role of hydrophobicity in the design of 4-hydroxy-5, 6-dihydropyran-2-ones HIV-1 protease inhibitors
B Bhhatarai, R Garg
Bioorganic & medicinal chemistry 13 (12), 4078-4084, 2005
Oral LD50 toxicity modeling and prediction of per-and polyfluorinated chemicals on rat and mouse
B Bhhatarai, P Gramatica
Molecular diversity 15 (2), 467-476, 2011
A mechanistic study of 3-aminoindazole cyclic urea HIV-1 protease inhibitors using comparative QSAR
R Garg, B Bhhatarai
Bioorganic & medicinal chemistry 12 (22), 5819-5831, 2004
Evaluation of TOPKAT, Toxtree, and Derek Nexus in Silico Models for Ocular Irritation and Development of a Knowledge-Based Framework To Improve the Prediction of Severe Irritation
B Bhhatarai, DM Wilson, AK Parks, EW Carney, PJ Spencer
Chemical research in toxicology, 2016
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
K Mansouri, N Kleinstreuer, AM Abdelaziz, D Alberga, VM Alves, ...
Environmental Health Perspectives 128 (2), 027002, 2020
Acute toxicity prediction in multiple species by leveraging mechanistic ToxCast mitochondrial inhibition data and simulation of oral bioavailability
B Bhhatarai, DM Wilson, MJ Bartels, S Chaudhuri, PS Price, EW Carney
Toxicological Sciences 147 (2), 386-396, 2015
Evaluation of OASIS QSAR Models Using ToxCast in Vitro Estrogen and Androgen Receptor Binding Data and Application in an Integrated Endocrine Screening Approach
B Bhhatarai, DM Wilson, PS Price, S Marty, AK Parks, E Carney
Environmental health perspectives, 2016
The QSPR-THESAURUS: the online platform of the CADASTER project
S Brandmaier, W Peijnenburg, MK Durjava, B Kolar, P Gramatica, E Papa, ...
Alternatives to Laboratory Animals 42 (1), 13-24, 2014
A QSAR study of HIV protease inhibitors using theoretical descriptors.
SC Basak, D Mills, R Garg, B Bhhatarai
Current computer-aided drug design 6 (4), 269-282, 2010
Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl‐Pyranones
B Bhhatarai, R Garg, P Gramatica
Molecular Informatics 29 (6‐7), 511-522, 2010
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