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Author Title [ Year(Asc)]
Filters: Keyword is Molecular Dynamics Simulation  [Clear All Filters]
2021
Zhang Y, Xu B, Weiner BG, Meir Y, Wingreen NS. Decoding the physical principles of two-component biomolecular phase separation. Elife. 2021 ;10.
Benn G, Mikheyeva IV, Inns PGeorge, Forster JC, Ojkic N, Bortolini C, et al. Phase separation in the outer membrane of . Proc Natl Acad Sci U S A. 2021 ;118(44).
Gao S, Yan N. Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca 1.1 by Dihydropyridine Compounds*. Angew Chem Int Ed Engl. 2021 ;60(6):3131-3137.
2020
Huang X, Duddy OP, Silpe JE, Paczkowski JE, Cong J, Henke BR, et al. Mechanism underlying autoinducer recognition in the DPO-VqmA quorum-sensing pathway. J Biol Chem. 2020 ;295(10):2916-2931.
Leicher R, Ge EJ, Lin X, Reynolds MJ, Xie W, Walz T, et al. Single-molecule and in silico dissection of the interaction between Polycomb repressive complex 2 and chromatin. Proc Natl Acad Sci U S A. 2020 ;117(48):30465-30475.
2018
Zhang J, Mao W, Ren Y, Sun R-N, Yan N, Gong H. Simulating the ion permeation and ion selection for a eukaryotic voltage-gated sodium channel NaPaS. Protein Cell. 2018 ;9(6):580-585.
2017
Ke M, Yuan Y, Jiang X, Yan N, Gong H. Molecular determinants for the thermodynamic and functional divergence of uniporter GLUT1 and proton symporter XylE. PLoS Comput Biol. 2017 ;13(6):e1005603.
Wei M-T, Elbaum-Garfinkle S, Holehouse AS, Chen CChih-Hsiun, Feric M, Arnold CB, et al. Phase behaviour of disordered proteins underlying low density and high permeability of liquid organelles. Nat Chem. 2017 ;9(11):1118-1125.
2016
Rubinstein BY, Mattingly HH, Berezhkovskii AM, Shvartsman SY. Long-term dynamics of multisite phosphorylation. Mol Biol Cell. 2016 ;27(14):2331-40.
Allen CD, Chen MY, Trick AY, Le DThanh, Ferguson AL, A Link J. Thermal Unthreading of the Lasso Peptides Astexin-2 and Astexin-3. ACS Chem Biol. 2016 ;11(11):3043-3051.
2015
Sgro AE, Schwab DJ, Noorbakhsh J, Mestler T, Mehta P, Gregor T. From intracellular signaling to population oscillations: bridging size- and time-scales in collective behavior. Mol Syst Biol. 2015 ;11(1):779.
2014
Deng D, Yan C, Wu J, Pan X, Yan N. Revisiting the TALE repeat. Protein Cell. 2014 ;5(4):297-306.
2013
Zhang X, Xia M, Li Y, Liu H, Jiang X, Ren W, et al. Analysis of the selectivity filter of the voltage-gated sodium channel Na(v)Rh. Cell Res. 2013 ;23(3):409-22.
Xia M, Liu H, Li Y, Yan N, Gong H. The mechanism of Na⁺/K⁺ selectivity in mammalian voltage-gated sodium channels based on molecular dynamics simulation. Biophys J. 2013 ;104(11):2401-9.
2010
Strawn R, Melichercik M, Green M, Stockner T, Carey J, Ettrich R. Symmetric allosteric mechanism of hexameric Escherichia coli arginine repressor exploits competition between L-arginine ligands and resident arginine residues. PLoS Comput Biol. 2010 ;6(6):e1000801.