2020

E. Hruska; V. Balasubramanian; H. Lee; S. Jha; C. Clementi 2020 Extensible and Scalable Adaptive Sampling on Supercomputers. Journal of Chemical Theory and Computation (Volume 16, Issue 12, Pages 7915-7925, 12/08/2020)
P.R. Desai; S. Brahmachari; J.F. Marko; S. Das; K.C. Neuman 2020 Coarse-grained modelling of DNA plectoneme pinning in the presence of base-pair mismatches. Nucleic Acids Research (Volume 48, Issue 19, Pages 10713-10725, 11/04/2020)
Y. Eliaz; F. Nedelec; G. Morrison; H. Levine; M.S. Cheung 2020 Insights from graph theory on the morphologies of actomyosin networks with multilinkers. Physical Review E (Volume 102, Issue 6, Article Number 062420, 12/23/2020)
S.A. Sevier 2020 Mechanical properties of DNA replication. Physical Review Research (Volume 2, Issue 2, Article Number 023280, 6/3/2020)
L. Yi; Z. Leng; G. Yu; A. Patel; W.J. Hu; H. Pu 2020 Deep learning-enhanced variational Monte Carlo method for quantum many-body physics. Physical Review Research (Volume 2, Issue 1, Article Number 012039, 02/14/2020)
B.E. Husic; N.E. Charron; D. Lemm; J. Wang; A. Perez; M. Majewski; A. Kramer; Y.Y. Chen; S. Olsson… 2020 Coarse graining molecular dynamics with graph neural networks. Journal of Chemical Physics (Volume 153, Issue 19, Article Number 194101, 11/21/2020)
J.R. Abella; D. Antunes; K. Jackson; G. Lizee; C. Clementi; L.E. Kavraki 2020 Markov state modeling reveals alternative unbinding pathways for peptide-MHC complexes. Proceedings of The National Academy of Sciences of The United States of America (Volume 117, Issue 48, Pages 30610-30618, 12/01/2020)
M. Levi; K. Walak; A.L. Wang; U. Mohanty; P.C. Whitford 2020 A steric gate controls P/E hybrid-state formation of tRNA on the ribosome. Nature Communications (Volume 11, Issue 1, Article Number 5706, 11/11/2020)
S.K. Jin; M.D. Miller; M.C. Chen; N.P. Schafer; X.C. Lin; X. Chen; G.N. Phillips; P.G. Wolynes 2020 Molecular-replacement phasing using predicted protein structures from AWSEM-Suite. IUCRJ (Volume 7, Pages 1168-1178, Part 6, 11/2020)
P.C. Whitford; W. Jiang; P. Serwer 2020 Simulations of Phage T7 Capsid Expansion Reveal the Role of Molecular Sterics on Dynamics. Viruses-Basel (Volume 12, Issue 11, Article Number 1273, 11/2020)