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Proteins|May 13, 2011
Computational protein design with a generalized Born solvent model: application to Asparaginyl-tRNA synthetaseSavvas Polydorides, Najette Amara, Caroline Aubard, et al.Plos Computational Biology|January 10, 2020
Adaptive landscape flattening allows the design of both enzyme: Substrate binding and catalytic powerVaitea Opuu, Giuliano Nigro, Thomas Gaillard, et al.Faraday Discussions|February 17, 2011
Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: comparisons of density functional theory and experimentVladimir Pelmenschikov, Yisong Guo, Hongxin Wang, et al.Journal of Chemical Theory and Computation|November 13, 2010
Generalized Born model with a simple, robust molecular volume correctionJohn Mongan, Carlos Simmerling, J Andrew McCammon, et al.The Journal of Chemical Physics|November 10, 2009
Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrumJian Liu, William H Miller, Francesco Paesani, et al.The Journal of Chemical Physics|November 4, 2017
Links between the charge model and bonded parameter force constants in biomolecular force fieldsDavid S Cerutti, Karl T Debiec, David A Case, et al.The Journal of Physical Chemistry. B|February 6, 2013
Derivation of fixed partial charges for amino acids accommodating a specific water model and implicit polarizationDavid S Cerutti, Julia E Rice, William C Swope, et al.Peerj|August 31, 2017
Population structure of Bathymodiolus manusensis, a deep-sea hydrothermal vent-dependent mussel from Manus Basin, Papua New GuineaAndrew D Thaler, William Saleu, Jens Carlsson, et al.The Science of the Total Environment|June 8, 2019
Trace element fingerprinting of blue mussel (Mytilus edulis) shells and soft tissues successfully reveals harvesting locationsMatthew Bennion, Liam Morrison, Deirdre Brophy, et al.Journal of Structural Biology|July 24, 2013
Targeted conformational search with map-restrained self-guided Langevin dynamics: application to flexible fitting into electron microscopic density mapsXiongwu Wu, Sriram Subramaniam, David A Case, et al.Pageof 39