Molecular dynamics-based refinement and validation for sub-5 Å cryo-electron microscopy maps
Singharoy, Abhishek, Teo, Ivan, McGreevy, Ryan, Stone, John E, Zhao, Jianhua, Schulten, Klaus
Published in eLife (07.07.2016)
Published in eLife (07.07.2016)
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Journal Article
QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts
Ribeiro, João V., Bernardi, Rafael C., Rudack, Till, Stone, John E., Phillips, James C., Freddolino, Peter L., Schulten, Klaus
Published in Scientific reports (24.05.2016)
Published in Scientific reports (24.05.2016)
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Journal Article
TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD
Vermaas, Josh V, Hardy, David J, Stone, John E, Tajkhorshid, Emad, Kohlmeyer, Axel
Published in Journal of chemical information and modeling (27.06.2016)
Published in Journal of chemical information and modeling (27.06.2016)
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Journal Article
GPU-accelerated molecular modeling coming of age
Stone, John E., Hardy, David J., Ufimtsev, Ivan S., Schulten, Klaus
Published in Journal of molecular graphics & modelling (01.09.2010)
Published in Journal of molecular graphics & modelling (01.09.2010)
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Journal Article
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
Casalino, Lorenzo, Dommer, Abigail C, Gaieb, Zied, Barros, Emilia P, Sztain, Terra, Ahn, Surl-Hee, Trifan, Anda, Brace, Alexander, Bogetti, Anthony T, Clyde, Austin, Ma, Heng, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Chong, Lillian T, Simmerling, Carlos, Hardy, David J, Maia, Julio DC, Phillips, James C, Kurth, Thorsten, Stern, Abraham C, Huang, Lei, McCalpin, John D, Tatineni, Mahidhar, Gibbs, Tom, Stone, John E, Jha, Shantenu, Ramanathan, Arvind, Amaro, Rommie E
Published in The international journal of high performance computing applications (01.09.2021)
Published in The international journal of high performance computing applications (01.09.2021)
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Journal Article
Assembly of Nsp1 nucleoporins provides insight into nuclear pore complex gating
Gamini, Ramya, Han, Wei, Stone, John E, Schulten, Klaus
Published in PLoS computational biology (01.03.2014)
Published in PLoS computational biology (01.03.2014)
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Journal Article
GPU-accelerated analysis and visualization of large structures solved by molecular dynamics flexible fitting
Stone, John E, McGreevy, Ryan, Isralewitz, Barry, Schulten, Klaus
Published in Faraday discussions (01.01.2014)
Published in Faraday discussions (01.01.2014)
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Journal Article
Stable Small Quantum Dots for Synaptic Receptor Tracking on Live Neurons
Cai, En, Ge, Pinghua, Lee, Sang Hak, Jeyifous, Okunola, Wang, Yong, Liu, Yanxin, Wilson, Katie M., Lim, Sung Jun, Baird, Michelle A., Stone, John E., Lee, Kwan Young, Davidson, Michael W., Chung, Hee Jung, Schulten, Klaus, Smith, Andrew M., Green, William N., Selvin, Paul R.
Published in Angewandte Chemie International Edition (10.11.2014)
Published in Angewandte Chemie International Edition (10.11.2014)
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Journal Article
Using VMD: an introductory tutorial
Hsin, Jen, Arkhipov, Anton, Yin, Ying, Stone, John E, Schulten, Klaus
Published in Current protocols in bioinformatics (01.12.2008)
Published in Current protocols in bioinformatics (01.12.2008)
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Journal Article
OpenCL: A Parallel Programming Standard for Heterogeneous Computing Systems
Stone, John E., Gohara, David, Shi, Guochun
Published in Computing in science & engineering (01.05.2010)
Published in Computing in science & engineering (01.05.2010)
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Journal Article
Dynamics of chromosome organization in a minimal bacterial cell
Gilbert, Benjamin R, Thornburg, Zane R, Brier, Troy A, Stevens, Jan A, Grünewald, Fabian, Stone, John E, Marrink, Siewert J, Luthey-Schulten, Zaida
Published in Frontiers in cell and developmental biology (09.08.2023)
Published in Frontiers in cell and developmental biology (09.08.2023)
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Journal Article
Scalable molecular dynamics on CPU and GPU architectures with NAMD
Phillips, James C, Hardy, David J, Maia, Julio D C, Stone, John E, Ribeiro, João V, Bernardi, Rafael C, Buch, Ronak, Fiorin, Giacomo, Hénin, Jérôme, Jiang, Wei, McGreevy, Ryan, Melo, Marcelo C R, Radak, Brian K, Skeel, Robert D, Singharoy, Abhishek, Wang, Yi, Roux, Benoît, Aksimentiev, Aleksei, Luthey-Schulten, Zaida, Kalé, Laxmikant V, Schulten, Klaus, Chipot, Christophe, Tajkhorshid, Emad
Published in The Journal of chemical physics (28.07.2020)
Published in The Journal of chemical physics (28.07.2020)
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Journal Article
py-MCMD: Python Software for Performing Hybrid Monte Carlo/Molecular Dynamics Simulations with GOMC and NAMD
Barhaghi, Mohammad Soroush, Crawford, Brad, Schwing, Gregory, Hardy, David J., Stone, John E., Schwiebert, Loren, Potoff, Jeffrey, Tajkhorshid, Emad
Published in Journal of chemical theory and computation (09.08.2022)
Published in Journal of chemical theory and computation (09.08.2022)
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Journal Article
VMD as a Platform for Interactive Small Molecule Preparation and Visualization in Quantum and Classical Simulations
Spivak, Mariano, Stone, John E., Ribeiro, João, Saam, Jan, Freddolino, Peter L., Bernardi, Rafael C., Tajkhorshid, Emad
Published in Journal of chemical information and modeling (14.08.2023)
Published in Journal of chemical information and modeling (14.08.2023)
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Journal Article
Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism
Singharoy, Abhishek, Maffeo, Christopher, Delgado-Magnero, Karelia H., Swainsbury, David J.K., Sener, Melih, Kleinekathöfer, Ulrich, Vant, John W., Nguyen, Jonathan, Hitchcock, Andrew, Isralewitz, Barry, Teo, Ivan, Chandler, Danielle E., Stone, John E., Phillips, James C., Pogorelov, Taras V., Mallus, M. Ilaria, Chipot, Christophe, Luthey-Schulten, Zaida, Tieleman, D. Peter, Hunter, C. Neil, Tajkhorshid, Emad, Aksimentiev, Aleksei, Schulten, Klaus
Published in Cell (14.11.2019)
Published in Cell (14.11.2019)
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Journal Article
Accelerating molecular modeling applications with graphics processors
Stone, John E, Phillips, James C, Freddolino, Peter L, Hardy, David J, Trabuco, Leonardo G, Schulten, Klaus
Published in Journal of computational chemistry (01.12.2007)
Published in Journal of computational chemistry (01.12.2007)
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Journal Article
Analytic Rendering and Hardware-Accelerated Simulation for Scientific Applications
Navratil, Paul, Gribble, Christiaan, Grosset, Pascal, Stone, John E.
Published in Computing in science & engineering (01.03.2022)
Published in Computing in science & engineering (01.03.2022)
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Journal Article