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ACS Omega|March 24, 2020
graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein-Ligand ComplexesDmitry S Karlov, Sergey Sosnin, Maxim V Fedorov, et al.Faraday Discussions|March 30, 2012
Molecular-scale insights into the mechanisms of ionic liquids interactions with carbon nanotubesAndrey I Frolov, Kathleen Kirchner, Tom Kirchner, et al.Journal of Chemical Theory and Computation|November 24, 2015
Solvent Binding Analysis and Computational Alanine Scanning of the Bovine Chymosin-Bovine κ-Casein Complex Using Molecular Integral Equation TheoryDavid S Palmer, Jesper Sørensen, Birgit Schiøtt, et al.National Science Review|January 7, 2025
Tropical Indian Ocean drives Hadley circulation change in a warming climateYong Sun, Gilles Ramstein, Alexey V Fedorov, et al.The Journal of Physical Chemistry Letters|June 29, 2023
Optimized Quantum Drude Oscillators for Atomic and Molecular Response PropertiesSzabolcs Góger, Almaz Khabibrakhmanov, Ornella Vaccarelli, et al.Plos One|April 4, 2012
Structure-forming corals and sponges and their use as fish habitat in Bering Sea submarine canyonsRobert J Miller, John Hocevar, Robert P Stone, et al.Optics Express|September 22, 2011
Theory of quasi-elastic secondary emission from a quantum dot in the regime of vibrational resonanceIvan D Rukhlenko, Anatoly V Fedorov, Anvar S Baymuratov, et al.The Journal of Chemical Physics|April 26, 2005
Structure and stability of chiral beta-tapes: a computational coarse-grained approachGiovanni Bellesia, Maxim V Fedorov, Yuri A Kuznetsov, et al.The Journal of Chemical Physics|August 7, 2010
Accurate calculations of the hydration free energies of druglike molecules using the reference interaction site modelDavid S Palmer, Volodymyr P Sergiievskyi, Frank Jensen, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 18, 2014
Validity of the relativistic phase shift model for the extrinsic spin Hall effect in dilute metal alloysA Johansson, C Herschbach, D V Fedorov, et al.Pageof 77