Alexei M. Nikitin

Publication Activity (10 Years)

Years Active: 2007-2021
Publications (10 Years): 3

Top Topics

Parameter Estimation

Accurate Models

Mutual Information

Top Venues

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

Alexei M. Nikitin, Vladislava Milchevskaya, Alexander Lyubartsev
To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC. J. Comput. Chem. 42 (11) (2021)
Alexei M. Nikitin
Non-zero Lennard-Jones parameters for the Toukan-Rahman water model: more accurate calculations of the solvation free energy of organic substances. J. Comput. Aided Mol. Des. 34 (4) (2020)
Alexei M. Nikitin, Gianluca Del Frate
Development of Nonbonded Models for Metal Cations Using the Electronic Continuum Correction. J. Comput. Chem. 40 (28) (2019)
Carl-Johan Högberg, Alexei M. Nikitin, Alexander Lyubartsev
Modification of the CHARMM force field for DMPC lipid bilayer. J. Comput. Chem. 29 (14) (2008)
Alexei M. Nikitin, Alexander Lyubartsev
New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures. J. Comput. Chem. 28 (12) (2007)