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Direction Matters: Monovalent Streptavidin/Biotin Complex under Load.
Sedlak SM, Schendel LC, Melo MCR, Pippig DA, Luthey-Schulten Z, Gaub HE, Bernardi RC. Sedlak SM, et al. Nano Lett. 2019 Jun 12;19(6):3415-3421. doi: 10.1021/acs.nanolett.8b04045. Epub 2018 Oct 26. Nano Lett. 2019. PMID: 30346175 Free PMC article.
NAMD goes quantum: an integrative suite for hybrid simulations.
Melo MCR, Bernardi RC, Rudack T, Scheurer M, Riplinger C, Phillips JC, Maia JDC, Rocha GB, Ribeiro JV, Stone JE, Neese F, Schulten K, Luthey-Schulten Z. Melo MCR, et al. Nat Methods. 2018 May;15(5):351-354. doi: 10.1038/nmeth.4638. Epub 2018 Mar 26. Nat Methods. 2018. PMID: 29578535 Free PMC article.
Scalable molecular dynamics on CPU and GPU architectures with NAMD.
Phillips JC, Hardy DJ, Maia JDC, Stone JE, Ribeiro JV, Bernardi RC, Buch R, Fiorin G, Hénin J, Jiang W, McGreevy R, Melo MCR, Radak BK, Skeel RD, Singharoy A, Wang Y, Roux B, Aksimentiev A, Luthey-Schulten Z, Kalé LV, Schulten K, Chipot C, Tajkhorshid E. Phillips JC, et al. J Chem Phys. 2020 Jul 28;153(4):044130. doi: 10.1063/5.0014475. J Chem Phys. 2020. PMID: 32752662 Free PMC article.
Population FBA predicts metabolic phenotypes in yeast.
Labhsetwar P, Melo MCR, Cole JA, Luthey-Schulten Z. Labhsetwar P, et al. PLoS Comput Biol. 2017 Sep 8;13(9):e1005728. doi: 10.1371/journal.pcbi.1005728. eCollection 2017 Sep. PLoS Comput Biol. 2017. PMID: 28886026 Free PMC article.
Fundamental behaviors emerge from simulations of a living minimal cell.
Thornburg ZR, Bianchi DM, Brier TA, Gilbert BR, Earnest TM, Melo MCR, Safronova N, Sáenz JP, Cook AT, Wise KS, Hutchison CA 3rd, Smith HO, Glass JI, Luthey-Schulten Z. Thornburg ZR, et al. Among authors: luthey schulten z. Cell. 2022 Jan 20;185(2):345-360.e28. doi: 10.1016/j.cell.2021.12.025. Cell. 2022. PMID: 35063075 Free PMC article.
Kinetic Modeling of the Genetic Information Processes in a Minimal Cell.
Thornburg ZR, Melo MCR, Bianchi D, Brier TA, Crotty C, Breuer M, Smith HO, Hutchison CA 3rd, Glass JI, Luthey-Schulten Z. Thornburg ZR, et al. Front Mol Biosci. 2019 Nov 28;6:130. doi: 10.3389/fmolb.2019.00130. eCollection 2019. Front Mol Biosci. 2019. PMID: 31850364 Free PMC article.
115 results