Probing conformational dynamics of antibodies with geometric simulations

Autor: Tucs, Andrejs, Tsuda, Koji, Sljoka, Adnan

This chapter describes the application of constrained geometric simulations for prediction of antibody structural dynamics. We utilize constrained geometric simulations method FRODAN, which is a low computational complexity alternative to Molecular D

Externí odkaz: http://arxiv.org/abs/2109.14724

Balancing G protein selectivity and efficacy in the adenosine A 2A receptor.

Autor: Picard LP; Department of Chemical and Physical Sciences, University of Toronto Mississauga (UTM), Mississauga, Ontario, Canada. louisphilippe.picard@utoronto.ca., Orazietti A; Department of Biochemistry, University of Toronto, Toronto, Ontario, Canada., Tran DP; School of Life Science and Technology, Tokyo Institute of Technology, Tokyo, Japan., Tucs A; Graduate School of Frontier Sciences, University of Tokyo, Chiba, Japan.; Center for Advanced Intelligence Project, RIKEN, Tokyo, Japan., Hagimoto S; School of Life Science and Technology, Tokyo Institute of Technology, Tokyo, Japan., Qi Z; Department of Chemical and Physical Sciences, University of Toronto Mississauga (UTM), Mississauga, Ontario, Canada., Huang SK; Department of Chemical and Physical Sciences, University of Toronto Mississauga (UTM), Mississauga, Ontario, Canada., Tsuda K; Graduate School of Frontier Sciences, University of Tokyo, Chiba, Japan.; Center for Advanced Intelligence Project, RIKEN, Tokyo, Japan., Kitao A; School of Life Science and Technology, Tokyo Institute of Technology, Tokyo, Japan., Sljoka A; Center for Advanced Intelligence Project, RIKEN, Tokyo, Japan. adnan.sljoka@riken.jp.; Department of Chemistry, York University, Toronto, Ontario, Canada. adnan.sljoka@riken.jp., Prosser RS; Department of Chemical and Physical Sciences, University of Toronto Mississauga (UTM), Mississauga, Ontario, Canada. scott.prosser@utoronto.ca.; Department of Biochemistry, University of Toronto, Toronto, Ontario, Canada. scott.prosser@utoronto.ca.

Publikováno v: Nature chemical biology [Nat Chem Biol] 2024 Jul 31. Date of Electronic Publication: 2024 Jul 31.

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Characterization of conformational states of the homodimeric enzyme fluoroacetate dehalogenase by ¹⁹ F- ¹³ C two-dimensional NMR.

Autor: Suleiman M; Department of Chemistry, University of Toronto UTM, 3359 Mississauga Rd Mississauga ON Canada L5L 1C6 scott.prosser@utoronto.ca., Frere GA; Department of Chemistry, University of Toronto UTM, 3359 Mississauga Rd Mississauga ON Canada L5L 1C6 scott.prosser@utoronto.ca., Törner R; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University Boston USA.; Department of Cancer Biology, Dana-Farber Cancer Institute Boston USA., Tabunar L; Department of Chemistry, University of Toronto UTM, 3359 Mississauga Rd Mississauga ON Canada L5L 1C6 scott.prosser@utoronto.ca., Bhole GV; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University Boston USA.; Department of Cancer Biology, Dana-Farber Cancer Institute Boston USA., Taverner K; Department of Chemistry, University of Toronto UTM, 3359 Mississauga Rd Mississauga ON Canada L5L 1C6 scott.prosser@utoronto.ca., Tsuchimura N; Kwansei Gakuin University, Department of Informatics Nishinomiya 530-0012 Japan., Pichugin D; Department of Chemistry, University of Toronto UTM, 3359 Mississauga Rd Mississauga ON Canada L5L 1C6 scott.prosser@utoronto.ca., Lichtenecker RJ; Institute of Organic Chemistry, University of Vienna Währingerstr 38 1090 Vienna Austria., Vozny O; Department of Chemistry, University of Toronto, UTSC, EV 564 - Environmental Science & Chemistry 1065 Military Trail Scarborough ON Canada M1C 1A4., Gunning P; Department of Chemistry, University of Toronto UTM, 3359 Mississauga Rd Mississauga ON Canada L5L 1C6 scott.prosser@utoronto.ca., Arthanari H; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Harvard University Boston USA.; Department of Cancer Biology, Dana-Farber Cancer Institute Boston USA., Sljoka A; RIKEN, Center for Advanced Intelligence Project 1-4-1 Nihombashi, Chuo-Ku Tokyo 103-0027 Japan adnan.sljoka@riken.jp., Prosser RS; Department of Chemistry, University of Toronto UTM, 3359 Mississauga Rd Mississauga ON Canada L5L 1C6 scott.prosser@utoronto.ca.; Department of Biochemistry, University of Toronto, 1 King's College Circle, Medical Sciences Building Room 5207 Toronto ON Canada M5S 1A8.

Publikováno v: RSC chemical biology [RSC Chem Biol] 2024 Oct 10. Date of Electronic Publication: 2024 Oct 10.