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Page 1
ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome.
Baker AT, Boyd RJ, Sarkar D, Teijeira-Crespo A, Chan CK, Bates E, Waraich K, Vant J, Wilson E, Truong CD, Lipka-Lloyd M, Fromme P, Vermaas J, Williams D, Machiesky L, Heurich M, Nagalo BM, Coughlan L, Umlauf S, Chiu PL, Rizkallah PJ, Cohen TS, Parker AL, Singharoy A, Borad MJ. Baker AT, et al. Among authors: singharoy a. Sci Adv. 2021 Dec 3;7(49):eabl8213. doi: 10.1126/sciadv.abl8213. Epub 2021 Dec 1. Sci Adv. 2021. PMID: 34851659 Free PMC article.
Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge.
Lawson CL, Kryshtafovych A, Pintilie GD, Burley SK, Černý J, Chen VB, Emsley P, Gobbi A, Joachimiak A, Noreng S, Prisant M, Read RJ, Richardson JS, Rohou AL, Schneider B, Sellers BD, Shao C, Sourial E, Williams CI, Williams CJ, Yang Y, Abbaraju V, Afonine PV, Baker ML, Bond PS, Blundell TL, Burnley T, Campbell A, Cao R, Cheng J, Chojnowski G, Cowtan KD, DiMaio F, Esmaeeli R, Giri N, Grubmüller H, Hoh SW, Hou J, Hryc CF, Hunte C, Igaev M, Joseph AP, Kao WC, Kihara D, Kumar D, Lang L, Lin S, Maddhuri Venkata Subramaniya SR, Mittal S, Mondal A, Moriarty NW, Muenks A, Murshudov GN, Nicholls RA, Olek M, Palmer CM, Perez A, Pohjolainen E, Pothula KR, Rowley CN, Sarkar D, Schäfer LU, Schlicksup CJ, Schröder GF, Shekhar M, Si D, Singharoy A, Sobolev OV, Terashi G, Vaiana AC, Vedithi SC, Verburgt J, Wang X, Warshamanage R, Winn MD, Weyand S, Yamashita K, Zhao M, Schmid MF, Berman HM, Chiu W. Lawson CL, et al. Among authors: singharoy a. Res Sq [Preprint]. 2024 Jan 25:rs.3.rs-3864137. doi: 10.21203/rs.3.rs-3864137/v1. Res Sq. 2024. Update in: Nat Methods. 2024 Jul;21(7):1340-1348. doi: 10.1038/s41592-024-02321-7 PMID: 38343795 Free PMC article. Updated. Preprint.
Charge Transfer and Chemo-Mechanical Coupling in Respiratory Complex I.
Gupta C, Khaniya U, Chan CK, Dehez F, Shekhar M, Gunner MR, Sazanov L, Chipot C, Singharoy A. Gupta C, et al. Among authors: singharoy a. J Am Chem Soc. 2020 May 20;142(20):9220-9230. doi: 10.1021/jacs.9b13450. Epub 2020 May 11. J Am Chem Soc. 2020. PMID: 32347721
Molecular Dynamics Flexible Fitting: All You Want to Know About Resolution Exchange.
Vant JW, Sarkar D, Gupta C, Shekhar MS, Mittal S, Singharoy A. Vant JW, et al. Among authors: singharoy a. Methods Mol Biol. 2020;2165:301-315. doi: 10.1007/978-1-0716-0708-4_18. Methods Mol Biol. 2020. PMID: 32621233
However, building three-dimensional atomic structures of biomolecules from these high-resolution maps remains a concern for the traditional map-guided structure-determination schemes. Recently, we developed a computational tool, Resolution Exchange Molecular Dynamic …
However, building three-dimensional atomic structures of biomolecules from these high-resolution maps remains a concern for the tradi …
Large-Scale Molecular Dynamics Simulations of Cellular Compartments.
Wilson E, Vant J, Layton J, Boyd R, Lee H, Turilli M, Hernández B, Wilkinson S, Jha S, Gupta C, Sarkar D, Singharoy A. Wilson E, et al. Among authors: singharoy a. Methods Mol Biol. 2021;2302:335-356. doi: 10.1007/978-1-0716-1394-8_18. Methods Mol Biol. 2021. PMID: 33877636
Poor Person's pH Simulation of Membrane Proteins.
Gupta C, Khaniya U, Vant JW, Shekhar M, Mao J, Gunner MR, Singharoy A. Gupta C, et al. Among authors: singharoy a. Methods Mol Biol. 2021;2315:197-217. doi: 10.1007/978-1-0716-1468-6_12. Methods Mol Biol. 2021. PMID: 34302678
73 results