New six‐site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures AM Nikitin, AP Lyubartsev Journal of computational chemistry 28 (12), 2020-2026, 2007 | 168 | 2007 |
Modification of the CHARMM force field for DMPC lipid bilayer CJ Högberg, AM Nikitin, AP Lyubartsev Journal of Computational Chemistry 29 (14), 2359-2369, 2008 | 86 | 2008 |
Binding of Hoechst 33258 and its derivatives to DNA NP Bazhulina, AM Nikitin, SA Rodin, AN Surovaya, YV Kravatsky, ... Journal of Biomolecular Structure and Dynamics 26 (6), 701-718, 2009 | 73 | 2009 |
AMBER-ii: New Combining Rules and Force Field for Perfluoroalkanes A Nikitin, Y Milchevskiy, A Lyubartsev The Journal of Physical Chemistry B 119 (46), 14563-14573, 2015 | 36 | 2015 |
Binding of bis-linked netropsin derivatives in the parallel-stranded hairpin form to DNA AN Surovaya, G Burckhardt, SL Grokhovsky, E Birch-Hirschfeld, ... Journal of Biomolecular Structure and Dynamics 18 (5), 689-701, 2001 | 30 | 2001 |
A new AMBER-compatible force field parameter set for alkanes AM Nikitin, YV Milchevskiy, AP Lyubartsev Journal of molecular modeling 20 (3), 2143, 2014 | 26 | 2014 |
Development of Nonbonded Models for Metal Cations Using the Electronic Continuum Correction A Nikitin, G Del Frate Journal of computational chemistry 40 (28), 2464-2472, 2019 | 17 | 2019 |
Mono‐, di‐and trimeric binding of a bis‐netropsin to DNA AS Zasedatelev, VB Borodulin, SL Grokhovsky, AM Nikitin, ... FEBS letters 375 (3), 304-306, 1995 | 15 | 1995 |
Non-zero Lennard-Jones parameters for the Toukan–Rahman water model: more accurate calculations of the solvation free energy of organic substances A Nikitin Journal of computer-aided molecular design 34 (4), 437-441, 2020 | 12 | 2020 |
Complex of the herpes simplex virus type 1 origin binding protein UL9 with DNA as a platform for the design of a new type of antiviral drugs NP Bazhulina, AN Surovaya, YG Gursky, VL Andronova, ED Moiseeva, ... Journal of Biomolecular Structure and Dynamics 32 (9), 1456-1473, 2014 | 11 | 2014 |
Including Electronic Screening in Classical Force Field of Zinc Ion for Biomolecular Simulations G Del Frate, A Nikitin ChemistrySelect 3 (43), 12367-12370, 2018 | 9 | 2018 |
Isohelical DNA-binding oligomers: antiviral activity and application for the design of nanostructured devices G Gursky, A Nikitin, A Surovaya, S Grokhovsky, V Andronova, G Galegov Nanomaterials for Application in Medicine and Biology, 17-28, 2008 | 6 | 2008 |
Structural coordinates: A novel approach to predict protein backbone conformation V Milchevskaya, AM Nikitin, SA Lukshin, IV Filatov, YV Kravatsky, ... PloS one 16 (5), e0239793, 2021 | 4 | 2021 |
Inhibition of herpes simplex virus helicase UL9 by netropsin derivatives and antiviral activities of bis-netropsins NP Bazhulina, AN Surovaya, YG Gursky, VL Andronova, VS Arkhipova, ... Biophysics 57, 153-162, 2012 | 4 | 2012 |
Specific Protein-DNA Complexes as Platforms for Design of New T pes of Antiviral Drugs GV Gursky, SL Grokhovsky, AN Surovaya, YG Gursky, VL Andronova, ... JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 26 (6), 895-896, 2009 | 4 | 2009 |
Interaction of a furancarboxamide analog of antibiotic distamycin A with DNA AL Mikheikin, AM Nikitin, SA Strel'tsov, TA Leinsoo, VO Chekhov, ... Molecular Biology 31 (6), 854-861, 1997 | 4 | 1997 |
A study of periodicity in the primary structure of spidroin 1 and spidroin 2 from spiders belonging to various species LE Ragulina, VI Makeev, NG Esipova, VG Tumanian, AM Nikitin, ... Biofizika 49 (6), 1053-1060, 2004 | 3 | 2004 |
New structural motifs isohelical to DNA AM Nikitin, GV Gursky Doklady Biochemistry and Biophysics 390 (1), 139-142, 2003 | 3 | 2003 |
A new pseudopeptide motif for designing specific DNA-binding compounds capable of recognizing long DNA sequences AM Nikitin, SA Rodin, VF Pis' menskii, AN Surovaya, GV Gursky Doklady Biochemistry and Biophysics 384 (1), 167-171, 2002 | 3 | 2002 |
Binding of the Hoechst 33 342 Dye in the Monomer and Sandwich Form with poly [d (AT)]· poly [d (AT)] and the Self-Complementary Dodecamer 5"-CGTATATATACG-3" SA Rodin, VF Pis' menskii, AM Nikitin, AN Surovaya, GV Gursky Doklady Biochemistry and Biophysics 379 (1), 235-238, 2001 | 3 | 2001 |