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2020 – today
- 2023
[j10]Abigail C. Dommer, Lorenzo Casalino, Fiona L. Kearns, Mia Rosenfeld, Nicholas Wauer, Surl-Hee Ahn, John Russo, A. Sofia F. Oliveira, Clare Morris, Anthony T. Bogetti, Anda Trifan, Alexander Brace, Terra Sztain, Austin Clyde, Heng Ma, S. Chakra Chennubhotla, Hyungro Lee, Matteo Turilli, Syma Khalid, Teresa Tamayo-Mendoza, Matthew Welborn, Anders S. Christensen, Daniel G. A. Smith, Zhuoran Qiao, Sai K. Sirumalla, Michael O'connor, Frederick R. Manby, Anima Anandkumar, David J. Hardy, James C. Phillips, Abraham C. Stern, Josh Romero, David Clark, Mitchell Dorrell, Tom Maiden, Lei Huang, John D. McCalpin, Christopher J. Woods, Alan Gray, Matt Williams, Bryan Barker, Harinda Rajapaksha, Richard Pitts, Tom Gibbs, John E. Stone, Daniel M. Zuckerman, Adrian J. Mulholland, Thomas Miller, Shantenu Jha, Arvind Ramanathan, Lillian T. Chong, Rommie E. Amaro:
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol. Int. J. High Perform. Comput. Appl. 37(1): 28-44 (2023)- 2022
- [i2]David Aristoff, J. Copperman, Gideon Simpson, Robert J. Webber, Daniel M. Zuckerman:
Weighted ensemble: Recent mathematical developments. CoRR abs/2206.14943 (2022) - 2020
- [j9]David Aristoff, Daniel M. Zuckerman:
Optimizing Weighted Ensemble Sampling of Steady States. Multiscale Model. Simul. 18(2): 646-673 (2020) - [j8]Paola Bisignano
, Michael A. Lee, August George, Daniel M. Zuckerman, Michael Grabe, John M. Rosenberg:
A kinetic mechanism for enhanced selectivity of membrane transport. PLoS Comput. Biol. 16(7) (2020) - [j7]August George, Paola Bisignano, John M. Rosenberg, Michael Grabe, Daniel M. Zuckerman:
A systems-biology approach to molecular machines: Exploration of alternative transporter mechanisms. PLoS Comput. Biol. 16(7) (2020)
2010 – 2019
- 2016
- [j6]Rory M. Donovan, José Juan Tapia, Devin P. Sullivan, James R. Faeder, Robert F. Murphy, Markus Dittrich, Daniel M. Zuckerman:
Unbiased Rare Event Sampling in Spatial Stochastic Systems Biology Models Using a Weighted Ensemble of Trajectories. PLoS Comput. Biol. 12(2) (2016) - 2015
- [i1]David L. Mobley, Daniel M. Zuckerman:
A proposal for regularly updated review/survey articles: "Perpetual Reviews". CoRR abs/1502.01329 (2015) - 2012
- [j5]Steven Lettieri, Daniel M. Zuckerman:
Accelerating molecular monte carlo simulations using distance and orientation-dependent energy tables: Tuning from atomistic accuracy to smoothed "coarse-grained" models. J. Comput. Chem. 33(3): 268-275 (2012) - 2011
- [j4]Artem B. Mamonov, Xin Zhang, Daniel M. Zuckerman:
Rapid sampling of all-atom peptides using a library-based polymer-growth approach. J. Comput. Chem. 32(3): 396-405 (2011) - [j3]Steven Lettieri, Artem B. Mamonov, Daniel M. Zuckerman:
Extending fragment-based free energy calculations with library monte carlo simulation: Annealing in interaction space. J. Comput. Chem. 32(6): 1135-1143 (2011)
2000 – 2009
- 2009
- [j2]Xin Zhang, Artem B. Mamonov, Daniel M. Zuckerman:
Absolute free energies estimated by combining precalculated molecular fragment libraries. J. Comput. Chem. 30(11): 1680-1691 (2009) - 2004
- [j1]F. Marty Ytreberg, Daniel M. Zuckerman:
Efficient use of nonequilibrium measurement to estimate free energy differences for molecular systems. J. Comput. Chem. 25(14): 1749-1759 (2004)
Coauthor Index
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