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2022 Publications

Smith IN, Dawson JE, Krieger J, Thacker S, Bahar I, Eng C. (2022) Structural and Dynamic Effects of PTEN C-Terminal Tail Phosphorylation. J Chem Inf Model. 2022 Sep 12;62(17):4175-4190.
Abram M, Jakubiec M, Reeb K, Cheng MH, Gedschold R, Rapacz A, Mogilski S, Socała K, Nieoczym D, Szafarz M, Latacz G, Szulczyk B, Kalinowska-Tłuścik J, Gawel K, Esguerra CV, Wyska E, Müller CE, Bahar I, Fontana ACK, Wlaź P, Kamiński RM, Kamiński K. (2022) Discovery of (R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide [(R)-AS-1], a Novel Orally Bioavailable EAAT2 Modulator with Drug-like Properties and Potent Antiseizure Activity In Vivo. J Med Chem. 2022 Sep 8;65(17):11703-11725.
Chen C, Saville JW, Marti MM, Schäfer A, Cheng MH, Mannar D, Zhu X, Berezuk AM, Banerjee A, Sobolewski MD, Kim A, Treat BR, Da Silva Castanha PM, Enick N, McCormick KD, Liu X, Adams C, Hines MG, Sun Z, Chen W, Jacobs JL, Barratt-Boyes SM, Mellors JW, Baric RS, Bahar I, Dimitrov DS, Subramaniam S, Martinez DR, Li W. (2022) Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains. iScience. 2022 Aug 19;25(8):104798.
Noval Rivas M, Porritt RA, Cheng MH, Bahar I, Arditi M. (2022) Multisystem Inflammatory Syndrome in Children and Long COVID: The SARS-CoV-2 Viral Superantigen Hypothesis. Front Immunol. 2022 Jul 7;13:941009.
Todd NK, Huang Y, Lee JY, Doruker P, Krieger JM, Salisbury R, MacDonald M, Bahar I, Thathiah A. (2022) GPCR kinases generate an APH1A phosphorylation barcode to regulate amyloid-β generation. Cell Rep. 2022 Jul 19;40(3):111110.
Lefever DE, Miedel MT, Pei F, DiStefano JK, Debiasio R, Shun TY, Saydmohammed M, Chikina M, Vernetti LA, Soto-Gutierrez A, Monga SP, Bataller R, Behari J, Yechoor VK, Bahar I, Gough A, Stern AM, Taylor DL. (2022) A Quantitative Systems Pharmacology Platform Reveals NAFLD Pathophysiological States and Targeting Strategies. Metabolites. 2022 Jun 7;12(6):528.
Wingert B, Doruker P, Bahar I. (2022) Activation and Speciation Mechanisms in Class A GPCRs. J Mol Biol. 2022 Sep 15;434(17):167690.
Acar O, Zhang S, Bahar I, Carvunis AR. (2022) Elastic network modeling of cellular networks unveils sensor and effector genes that control information flow. PLoS Comput Biol. 2022 May 31;18(5):e1010181.
Krieger JM, Sorzano COS, Carazo JM, Bahar I. (2022) Protein dynamics developments for the large scale and cryoEM: case study of ProDy 2.0. Acta Crystallogr D Struct Biol. 2022 Apr 1;78(Pt 4):399-409.
Colas C, Bahar I, Shi L, Font Sadurni J. (2022) Editorial: Targeting Membrane Proteins: Structure-Function-Dynamics Relationships. Front Chem. 2022 Mar 3;10:862802.
Chen C, Saville JW, Marti MM, Schäfer A, Cheng MH, Mannar D, Zhu X, Berezuk AM, Banerjee A, Sobolewski MD, Kim A, Treat BR, Da Silva Castanha PM, Enick N, McCormick KD, Liu X, Adams C, Hines MG, Sun Z, Chen W, Jacobs JL, Barratt-Boyes SM, Mellors JW, Baric RS, Bahar I, Dimitrov DS, Subramaniam S, Martinez DR, Li W. (2022) Potent Neutralization of Omicron and other SARS-CoV-2 Variants of Concern by Biparatopic Human VH Domains. bioRxiv. 2022 Feb 24:2022.02.18.481058.
Cheng MH, Krieger JM, Banerjee A, Xiang Y, Kaynak B, Shi Y, Arditi M, Bahar I. (2022) Impact of new variants on SARS-CoV-2 infectivity and neutralization: A molecular assessment of the alterations in the spike-host protein interactions. iScience. 2022 Mar 18;25(3):103939.
Kaynak BT, Krieger JM, Dudas B, Dahmani ZL, Costa MGS, Balog E, Scott AL, Doruker P, Perahia D, Bahar I. (2022) Sampling of Protein Conformational Space Using Hybrid Simulations: A Critical Assessment of Recent Methods. Front Mol Biosci. 2022 Feb 4;9:832847.
Qiu X, Zhang Y, Martin-Rufino JD, Weng C, Hosseinzadeh S, Yang D, Pogson AN, Hein MY, Hoi Joseph Min K, Wang L, Grody EI, Shurtleff MJ, Yuan R, Xu S, Ma Y, Replogle JM, Lander ES, Darmanis S, Bahar I, Sankaran VG, Xing J, Weissman JS.
(2022) Mapping transcriptomic vector fields of single cells. Cell. 2022 Feb 17;185(4):690-711.e45.
Lamade AM, Wu L, Dar HH, Mentrup HL, Shrivastava IH, Epperly MW, St Croix CM, Tyurina YY, Anthonymuthu TS, Yang Q, Kapralov AA, Huang Z, Mao G, Amoscato AA, Hier ZE, Artyukhova MA, Shurin G, Rosenbaum JC, Gough PJ, Bertin J, VanDemark AP, Watkins SC, Mollen KP, Bahar I, Greenberger JS, Kagan VE, Whalen MJ, Bayır H. (2022) Inactivation of RIP3 kinase sensitizes to 15LOX/PEBP1-mediated ferroptotic death. Redox Biol. 2022 Apr;50:102232.
Sutkeviciute I, Lee JY, White AD, Maria CS, Peña KA, Savransky S, Doruker P, Li H, Lei S, Kaynak B, Tu C, Clark LJ, Sanker S, Gardella TJ, Chang W, Bahar I, Vilardaga JP. (2022) Precise druggability of the PTH type 1 receptor. Nat Chem Biol. 2022 Mar;18(3):272-280.
Refai O, Aggarwal S, Cheng MH, Gichi Z, Salvino JM, Bahar I, Blakely RD, Mortensen OV. (2022) Allosteric Modulator KM822 Attenuates Behavioral Actions of Amphetamine in Caenorhabditis elegans through Interactions with the Dopamine Transporter DAT-1. Mol Pharmacol. 2022 Mar;101(3):123-131.
Sang Z, Xiang Y, Bahar I, Shi Y. (2022) Llamanade: An open-source computational pipeline for robust nanobody humanization. Structure. 2022 Mar 3;30(3):418-429.e3.
Ishihara, K., Mukherjee, A., Gromberg, E., Brugués, J., Tanaka, E.M., Jülicher, F., (2022) Topological morphogenesis of neuroepithelial organoids. Nature Physics 1–7.
Golcuk M., Yildiz A., Gur, M. (2022). Omicron BA.1 and BA.2 Variants Increase the Interactions of SARS-CoV-2 Spike Glycoprotein with ACE2. Journal of Molecular Graphics & Modelling, 108286.
Golcuk M., Hacisuleyman, A., Yilmaz, S. Z., Taka, E. Yildiz A., Gur, M. (2022). SARS-Cov-2 Delta Variant Decreases Nanobody Binding and ACE2 Blocking Effectivity. Journal of Chemical Information and Modeling. 62 (10), 2490-2498.
Ferro, L. S., Fang, Q., Eshun-Wilson, L., Fernandes, J., Jack, A., Farrell, D. P., Golcuk, M., Huijben, T., Costa, K., Gur, M., DiMaio, F., Nogales, E., Yildiz, A., (2022) Structural and functional insight into regulation of kinesin-1 by microtubule-associated protein MAP7. Science, 375, 326-331.

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