QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts von Ribeiro, João V., Bernardi, Rafael C., Rudack, Till, Stone, John E., Phillips, James C., Freddolino, Peter L., Schulten, Klaus

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High-Performance Scalable Molecular Dynamics Simulations of a Polarizable Force Field Based on Classical Drude Oscillators in NAMD von Jiang, Wei, Hardy, David J, Phillips, James C, MacKerell, Alexander D, Schulten, Klaus, Roux, Benoît

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Structural basis of co-translational quality control by ArfA and RF2 bound to ribosome von Zeng, Fuxing, Chen, Yanbo, Remis, Jonathan, Shekhar, Mrinal, Phillips, James C., Tajkhorshid, Emad, Jin, Hong

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DATA-DRIVEN ORIGINALISM von Lee, Thomas R., Phillips, James C.

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Why Ubiquitin Has Not Evolved von Allan, Douglas C, Phillips, James C

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GPU/CPU Algorithm for Generalized Born/Solvent-Accessible Surface Area Implicit Solvent Calculations von Tanner, David E, Phillips, James C, Schulten, Klaus

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Scalable molecular dynamics on CPU and GPU architectures with NAMD von 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

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Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems von Radak, Brian K, Chipot, Christophe, Suh, Donghyuk, Jo, Sunhwan, Jiang, Wei, Phillips, James C, Schulten, Klaus, Roux, Benoît

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Why and how did the COVID pandemic end abruptly? von Moret, Marcelo A., Phillips, James C.

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Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism von 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

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Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD von Jiang, Wei, Phillips, James C., Huang, Lei, Fajer, Mikolai, Meng, Yilin, Gumbart, James C., Luo, Yun, Schulten, Klaus, Roux, Benoît

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Multiple-Replica Strategies for Free-Energy Calculations in NAMD: Multiple-Walker Adaptive Biasing Force and Walker Selection Rules von Comer, Jeffrey, Phillips, James C, Schulten, Klaus, Chipot, Christophe

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The challenges of theory-software translation [version 1; peer review: 2 approved, 1 approved with reservations] von Jay, Caroline, Haines, Robert, Katz, Daniel S, Carver, Jeffrey C, Gesing, Sandra, Brandt, Steven R, Howison, James, Dubey, Anshu, Phillips, James C, Wan, Hui, Turk, Matthew J

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Molecular Dynamics Simulations of Discoidal Bilayers Assembled from Truncated Human Lipoproteins von Shih, Amy Y., Denisov, Ilia G., Phillips, James C., Sligar, Stephen G., Schulten, Klaus

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AMBERff at Scale: Multimillion-Atom Simulations with AMBER Force Fields in NAMD von Antolínez, Santiago, Jones, Peter Eugene, Phillips, James C., Hadden-Perilla, Jodi A.

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Scalable molecular dynamics with NAMD von Phillips, James C., Braun, Rosemary, Wang, Wei, Gumbart, James, Tajkhorshid, Emad, Villa, Elizabeth, Chipot, Christophe, Skeel, Robert D., Kalé, Laxmikant, Schulten, Klaus

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Parallel Generalized Born Implicit Solvent Calculations with NAMD von Tanner, David E, Chan, Kwok-Yan, Phillips, James C, Schulten, Klaus

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Why Aβ42 Is Much More Toxic than Aβ40 von Phillips, James C

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Accelerating molecular modeling applications with graphics processors von Stone, John E, Phillips, James C, Freddolino, Peter L, Hardy, David J, Trabuco, Leonardo G, Schulten, Klaus

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Revealing the Effect of Irradiation on Cement Hydrates: Evidence of a Topological Self-Organization von Krishnan, N. M. Anoop, Wang, Bu, Sant, Gaurav, Phillips, James C, Bauchy, Mathieu

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