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Page 1
Functional Organization of Glycolytic Metabolon on Mitochondria.
Wang H, Vant J, Wu Y, Sanchez R, Micou ML, Zhang A, Luczak V, Yu SB, Jabbo M, Yoon S, Abushawish AA, Ghassemian M, Griffis E, Hammarlund M, Singharoy A, Pekkurnaz G. Wang H, et al. Among authors: singharoy a. bioRxiv [Preprint]. 2023 Sep 8:2023.08.26.554955. doi: 10.1101/2023.08.26.554955. bioRxiv. 2023. PMID: 37662343 Free PMC article. Preprint.
XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Zook J, Shekhar M, Hansen D, Conrad C, Grant T, Gupta C, White T, Barty A, Basu S, Zhao Y, Zatsepin N, Ishchenko A, Batyuk A, Gati C, Li C, Galli L, Coe J, Hunter M, Liang M, Weierstall U, Nelson G, James D, Stauch B, Craciunescu F, Thifault D, Liu W, Cherezov V, Singharoy A, Fromme P. Zook J, et al. Among authors: singharoy a. Structure. 2020 May 5;28(5):540-547.e3. doi: 10.1016/j.str.2020.02.005. Epub 2020 Mar 5. Structure. 2020. PMID: 32142641 Free PMC article.
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
CryoFold: determining protein structures and data-guided ensembles from cryo-EM density maps.
Shekhar M, Terashi G, Gupta C, Sarkar D, Debussche G, Sisco NJ, Nguyen J, Mondal A, Vant J, Fromme P, Van Horn WD, Tajkhorshid E, Kihara D, Dill K, Perez A, Singharoy A. Shekhar M, et al. Among authors: singharoy a. Matter. 2021 Oct 6;4(10):3195-3216. doi: 10.1016/j.matt.2021.09.004. Epub 2021 Sep 22. Matter. 2021. PMID: 35874311 Free PMC article.
75 results