Showing results (541-550 of 11,259) with videos related to
Sort By:
Pageof 1,126
Journal of Chemical Theory and Computation|November 28, 2018
SchNetPack: A Deep Learning Toolbox For Atomistic SystemsK T Schütt, P Kessel, M Gastegger, et al.Journal of Chemical Theory and Computation|November 21, 2019
Unitary Partitioning Approach to the Measurement Problem in the Variational Quantum Eigensolver MethodArtur F Izmaylov, Tzu-Ching Yen, Robert A Lang, et al.Journal of Chemical Theory and Computation|November 22, 2019
Do Molecular Dynamics Force Fields Capture Conformational Dynamics of Alanine in Water?Shuting Zhang, Reinhard Schweitzer-Stenner, Brigita UrbancJournal of Chemical Theory and Computation|November 22, 2019
pSPICA: A Coarse-Grained Force Field for Lipid Membranes Based on a Polar Water ModelYusuke Miyazaki, Susumu Okazaki, Wataru ShinodaJournal of Chemical Theory and Computation|November 15, 2019
Comment on "Exploring Potential Energy Surface with External Forces"Wolfgang Quapp, Josep Maria BofillJournal of Chemical Theory and Computation|November 26, 2019
Combining Embedded Mean-Field Theory with Linear-Scaling Density-Functional TheoryJoseph C A Prentice, Robert J Charlton, Arash A Mostofi, et al.Journal of Chemical Theory and Computation|November 26, 2019
Implicit Micelle Model for Membrane Proteins Using Superellipsoid ApproximationTakaharu Mori, Yuji SugitaJournal of Chemical Theory and Computation|November 26, 2019
Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster MethodRomain Berraud-Pache, Frank Neese, Giovanni Bistoni, et al.Journal of Chemical Theory and Computation|November 28, 2019
Multifunnel Energy Landscapes for Phosphorylated Translation Repressor 4E-BP2 and Its MutantsWei Kang, Fan Jiang, Yun-Dong Wu, et al.Journal of Chemical Theory and Computation|November 20, 2019
Ligand Binding Thermodynamic Cycles: Hysteresis, the Locally Weighted Histogram Analysis Method, and the Overlapping States MatrixDi Cui, Bin W Zhang, Zhiqiang Tan, et al.Pageof 1,126