Maroudas-Sklare N, Kolodny Y, Yochelis S, Keren N, Paltiel Y
Physiol Plant. 2022; 174(6):e13802.
PMID: 36259916
PMC: 9828261.
DOI: 10.1111/ppl.13802.
Zhang Y, Zhang S, Xing J, Bahar I
J Chem Phys. 2021; 154(19):195102.
PMID: 34240914
PMC: 8131107.
DOI: 10.1063/5.0046710.
Wilson E, Vant J, Layton J, Boyd R, Lee H, Turilli M
Methods Mol Biol. 2021; 2302:335-356.
PMID: 33877636
DOI: 10.1007/978-1-0716-1394-8_18.
Hase F, Roch L, Friederich P, Aspuru-Guzik A
Nat Commun. 2020; 11(1):4587.
PMID: 32917886
PMC: 7486390.
DOI: 10.1038/s41467-020-17995-8.
Singharoy A, Maffeo C, Delgado-Magnero K, Swainsbury D, Sener M, Kleinekathofer U
Cell. 2019; 179(5):1098-1111.e23.
PMID: 31730852
PMC: 7075482.
DOI: 10.1016/j.cell.2019.10.021.
Single- and multi-component chiral supraparticles as modular enantioselective catalysts.
Li S, Liu J, Ramesar N, Heinz H, Xu L, Xu C
Nat Commun. 2019; 10(1):4826.
PMID: 31645546
PMC: 6811642.
DOI: 10.1038/s41467-019-12134-4.
PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations.
Scheurer M, Rodenkirch P, Siggel M, Bernardi R, Schulten K, Tajkhorshid E
Biophys J. 2018; 114(3):577-583.
PMID: 29414703
PMC: 5985026.
DOI: 10.1016/j.bpj.2017.12.003.
Prediction of Thylakoid Lipid Binding Sites on Photosystem II.
van Eerden F, Melo M, Frederix P, Marrink S
Biophys J. 2017; 113(12):2669-2681.
PMID: 29262360
PMC: 5770566.
DOI: 10.1016/j.bpj.2017.09.039.
Lateral Segregation of Photosystem I in Cyanobacterial Thylakoids.
MacGregor-Chatwin C, Sener M, Barnett S, Hitchcock A, Barnhart-Dailey M, Maghlaoui K
Plant Cell. 2017; 29(5):1119-1136.
PMID: 28364021
PMC: 5466035.
DOI: 10.1105/tpc.17.00071.
Challenges of Integrating Stochastic Dynamics and Cryo-Electron Tomograms in Whole-Cell Simulations.
Earnest T, Watanabe R, Stone J, Mahamid J, Baumeister W, Villa E
J Phys Chem B. 2017; 121(15):3871-3881.
PMID: 28291359
PMC: 5751760.
DOI: 10.1021/acs.jpcb.7b00672.
Direct Imaging of Protein Organization in an Intact Bacterial Organelle Using High-Resolution Atomic Force Microscopy.
Kumar S, Cartron M, Mullin N, Qian P, Leggett G, Hunter C
ACS Nano. 2017; 11(1):126-133.
PMID: 28114766
PMC: 5269641.
DOI: 10.1021/acsnano.6b05647.
Understanding the Phosphorylation Mechanism by Using Quantum Chemical Calculations and Molecular Dynamics Simulations.
Han W, Zhu J, Wang S, Xu D
J Phys Chem B. 2016; 121(15):3565-3573.
PMID: 27976577
PMC: 6138447.
DOI: 10.1021/acs.jpcb.6b09421.
Overall energy conversion efficiency of a photosynthetic vesicle.
Sener M, Strumpfer J, Singharoy A, Hunter C, Schulten K
Elife. 2016; 5.
PMID: 27564854
PMC: 5001839.
DOI: 10.7554/eLife.09541.
Atomic Detail Visualization of Photosynthetic Membranes with GPU-Accelerated Ray Tracing.
Stone J, Sener M, Vandivort K, Barragan A, Singharoy A, Teo I
Parallel Comput. 2016; 55:17-27.
PMID: 27274603
PMC: 4890717.
DOI: 10.1016/j.parco.2015.10.015.
Computational Methodologies for Real-Space Structural Refinement of Large Macromolecular Complexes.
Goh B, Hadden J, Bernardi R, Singharoy A, McGreevy R, Rudack T
Annu Rev Biophys. 2016; 45:253-78.
PMID: 27145875
PMC: 5526348.
DOI: 10.1146/annurev-biophys-062215-011113.
From light-harvesting to photoprotection: structural basis of the dynamic switch of the major antenna complex of plants (LHCII).
Liguori N, Periole X, Marrink S, Croce R
Sci Rep. 2015; 5:15661.
PMID: 26493782
PMC: 4616226.
DOI: 10.1038/srep15661.
Structure-Encoded Global Motions and Their Role in Mediating Protein-Substrate Interactions.
Bahar I, Cheng M, Lee J, Kaya C, Zhang S
Biophys J. 2015; 109(6):1101-9.
PMID: 26143655
PMC: 4576147.
DOI: 10.1016/j.bpj.2015.06.004.
Molecular dynamics simulations of large macromolecular complexes.
Perilla J, Goh B, Cassidy C, Liu B, Bernardi R, Rudack T
Curr Opin Struct Biol. 2015; 31:64-74.
PMID: 25845770
PMC: 4476923.
DOI: 10.1016/j.sbi.2015.03.007.
Mapping to Irregular Torus Topologies and Other Techniques for Petascale Biomolecular Simulation.
Phillips J, Sun Y, Jain N, Bohm E, Kale L
SC Conf Proc. 2015; 2014:81-91.
PMID: 25594075
PMC: 4292797.
DOI: 10.1109/SC.2014.12.