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Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?, , и . Journal of Chemical Theory and Computation, 9 (1): 794-802 (2013)PMID: 23794960.Computations of Standard Binding Free Energies with Molecular Dynamics Simulations, и . Journal of Physical Chemistry B, 113 (8): 2234-2246 (2009)PMID: 19146384.Quantum Chemical Methods for Modeling Covalent Modification of Biological Thiols., , , , , , , и . J. Comput. Chem., 41 (5): 427-438 (2020)Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator., , , , и . J. Chem. Inf. Model., 58 (5): 993-1004 (2018)Efficient calculation of two-dimensional adiabatic and free energy maps: Application to the isomerization of the C13C14 and C15N16 bonds in the retinal of bacteriorhodopsin., , , и . J. Comput. Chem., 20 (15): 1644-1658 (1999)Application of a Stochastic Path Integral Approach to the Computations of an Optimal Path and Ensembles of Trajectories., , и . Computational Molecular Dynamics, том 4 из Lecture Notes in Computational Science and Engineering, Springer, (1999)PBEQ-Solver for online visualization of electrostatic potential of biomolecules., , , , и . Nucleic Acids Res., 36 (Web-Server-Issue): 270-275 (2008)Quantum Chemical and Free Energy Simulation Analysis of Retinal Conformational Energetics., , , и . Journal of Chemical Information and Computer Sciences, 37 (6): 1018-1024 (1997)Membrane protein simulations under asymmetric ionic concentrations., , , и . XSEDE, стр. 16:1. ACM, (2012)Combining the polarizable Drude force field with a continuum electrostatic Poisson-Boltzmann implicit solvation model., , , и . J. Comput. Chem., 39 (22): 1707-1719 (2018)