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
Membrane protein extraction and purification using styrene-maleic acid (SMA) copolymer: effect of variations in polymer structure
Morrison, Kerrie A, Akram, Aneel, Mathews, Ashlyn, Khan, Zoeya A, Patel, Jaimin H, Zhou, Chumin, Hardy, David J, Moore-Kelly, Charles, Patel, Roshani, Odiba, Victor, Knowles, Tim J, Javed, Masood-Ul-Hassan, Chmel, Nikola P, Dafforn, Timothy R, Rothnie, Alice J
Published in Biochemical journal (01.12.2016)
Published in Biochemical journal (01.12.2016)
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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
High-Performance Scalable Molecular Dynamics Simulations of a Polarizable Force Field Based on Classical Drude Oscillators in NAMD
Jiang, Wei, Hardy, David J, Phillips, James C, MacKerell, Alexander D, Schulten, Klaus, Roux, Benoît
Published in The journal of physical chemistry letters (20.01.2011)
Published in The journal of physical chemistry letters (20.01.2011)
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Journal Article
Structure of the MlaC-MlaD complex reveals molecular basis of periplasmic phospholipid transport
Wotherspoon, Peter, Johnston, Hannah, Hardy, David J., Holyfield, Rachel, Bui, Soi, Ratkevičiūtė, Giedrė, Sridhar, Pooja, Colburn, Jonathan, Wilson, Charlotte B., Colyer, Adam, Cooper, Benjamin F., Bryant, Jack A., Hughes, Gareth W., Stansfeld, Phillip J., Bergeron, Julien R. C., Knowles, Timothy J.
Published in Nature communications (30.07.2024)
Published in Nature communications (30.07.2024)
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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
Multiple grid methods for classical molecular dynamics
Skeel, Robert D., Tezcan, Ismail, Hardy, David J.
Published in Journal of computational chemistry (30.04.2002)
Published in Journal of computational chemistry (30.04.2002)
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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
Brain and cognitive reserve: Mediator(s) and construct validity, a critique
Satz, Paul, Cole, Michael A., Hardy, David J., Rassovsky, Yuri
Published in Journal of clinical and experimental neuropsychology (01.01.2011)
Published in Journal of clinical and experimental neuropsychology (01.01.2011)
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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
Multilevel summation for periodic electrostatics using B-splines
Kaya, Hüseyin, Hardy, David J, Skeel, Robert D
Published in The Journal of chemical physics (14.04.2021)
Published in The Journal of chemical physics (14.04.2021)
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Journal Article
Assessing workload in neuropsychology: An illustration with the Tower of Hanoi test
Hardy, David J., Wright, Matthew J.
Published in Journal of clinical and experimental neuropsychology (01.12.2018)
Published in Journal of clinical and experimental neuropsychology (01.12.2018)
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Journal Article
Multilevel Summation Method for Electrostatic Force Evaluation
Hardy, David J, Wu, Zhe, Phillips, James C, Stone, John E, Skeel, Robert D, Schulten, Klaus
Published in Journal of chemical theory and computation (10.02.2015)
Published in Journal of chemical theory and computation (10.02.2015)
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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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