V. Anisimov

发表

Cooperative binding of DNA and CBFβ to the Runt domain of the CBFα studied via MD simulations

Alexander D. MacKerell, Victor M. Anisimov, B. Habtemariam, 2005, Nucleic acids research.

Hydration free energies using semiempirical quantum mechanical Hamiltonians and a continuum solvent model with multiple atomic-type parameters.

Claudio N. Cavasotto, C. Cavasotto, V. Anisimov, 2011, Journal of Physical Chemistry B.

2,5-Dioxybicyclo[2.2.2]octane-3,6-diones. A conformational study by ab initio molecular orbital methods and molecular mechanics calculations

V. Anisimov, A. Rauk, C. Jaime, 1995 .

Biologically important conformational features of DNA as interpreted by quantum mechanics and molecular mechanics computations of its simple fragments

V. Anisimov, N. Polteva, V. Poltev, 2018, Journal of Molecular Modeling.

The role of electronic and steric factors in the fluorination of P(III) compounds by Ph3BiF2

V. Anisimov, I. Rakov, S. Lermontov, 1997 .

Stereo- and regioselective cycloaddition of norbornene to 2,4,9-triazidopyridine

V. Anisimov, S. Chapyshev, 1997 .

Quantum chemical study of the nature of regioselectivity in reactions of 2,4,6-triazidopyridines withtert-butylphosphaacetylene

V. Anisimov, S. Chapyshev, 1997 .

1,4-Dimethyl-2,5-dioxabicyclo[2.2.1]heptane-3,6-dione: Optical resolution, absolute configuration and circular dichroism

V. Anisimov, R. G. Kostyanovsky, I. Vystorop, 1999 .

Quantum-chemical study of electronic properties of model spirooxazines

V. Anisimov, S. Aldoshin, 1997 .

MP2 and DFT studies of the DNA rare base pairs: The molecular mechanism of the spontaneous substitution mutations conditioned by tautomerism of bases

V. Anisimov, V. Danilov, N. Kurita, 2005 .

Reversible intramolecular 1,3-chlorine migration in the triad ‘carbon–carbon–sulfur’

V. Anisimov, V. M. Fedoseev, M. N. Semenenko, 1995 .

Re-evaluation of the reported experimental values of the heat of vaporization of N-methylacetamide.

Alexander D. MacKerell, Alexander D Mackerell, Victor M Anisimov, 2008, Journal of chemical theory and computation.

Quantum Dynamics Simulation of Electrons in Materials on High-Performance Computers

Yosuke Kanai, Andre Schleife, Erik W. Draeger, 2014, Computing in Science & Engineering.

Quantum-chemical study of sulfoxide decomposition

E. T. Denisov, V. Anisimov, 2001 .

Computational and experimental studies of the interaction between phospho-peptides and the C-terminal domain of BRCA1

Claudio N. Cavasotto, Victor M. Anisimov, Arturas Ziemys, 2011, J. Comput. Aided Mol. Des..

Charge transfer effects in the GroEL-GroES chaperonin tetramer in solution.

V. Anisimov, A. Bliznyuk, 2012, The journal of physical chemistry. B.

Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers.

Alexander D. MacKerell, Adam Moser, Alexander D MacKerell, 2007, Journal of chemical theory and computation.

Optimization of the Coupled Cluster Implementation in NWChem on Petascale Parallel Architectures.

Kalyana Chadalavada, Edoardo Aprà, Karol Kowalski, 2014, Journal of chemical theory and computation.

Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field.

Alexander D. MacKerell, Benoît Roux, Guillaume Lamoureux, 2010, Journal of chemical theory and computation.

Quantum mechanical dynamics of charge transfer in ubiquitin in aqueous solution.

Claudio N. Cavasotto, Claudio N Cavasotto, Victor M Anisimov, 2009, Chemphyschem : a European journal of chemical physics and physical chemistry.

Hexacyanocyclopropane. Synthesis and Structure

V. Anisimov, Y. Struchkov, M. Antipin, 1992 .

Quantum-Mechanical Molecular Dynamics of Charge Transfer

C. Cavasotto, V. Anisimov, 2010 .

Quantum-chemical study of crystal formation of supramolecular silver compounds with trans-1,2-Bis(4-pyridyl)ethylene and their electronic absorption spectra

V. Anisimov, V. Razumov, S. B. Brichkin, 2006 .

The structure of Watson-Crick DNA base pairs obtained by MP2 optimization

V. Anisimov, V. Danilov, N. Kurita, 2005 .

The Linear Scaling Semiempirical LocalSCF Method and the Variational Finite LMO Approximation

V. Anisimov, Artur Panczakiewicz, 2011 .

Understanding the dielectric properties of liquid amides from a polarizable force field.

Alexander D. MacKerell, Benoît Roux, Edward Harder, 2008, The journal of physical chemistry. B.

Polarizable empirical force field for the primary and secondary alcohol series based on the classical Drude model.

Alexander D. MacKerell, Benoît Roux, Alexander D Mackerell, 2007, Journal of chemical theory and computation.

Determination of Electrostatic Parameters for a Polarizable Force Field Based on the Classical Drude Oscillator.

Alexander D. MacKerell, Benoît Roux, Niu Huang, 2005, Journal of chemical theory and computation.

Development of CHARMM polarizable force field for nucleic acid bases based on the classical Drude oscillator model.

Alexander D. MacKerell, Alexander D MacKerell, Christopher M Baker, 2011, The journal of physical chemistry. B.

QM/QM docking method based on the variational finite localized molecular orbital approximation

Victor M Anisimov, Vladislav L Bugaenko, V. Anisimov, 2009, J. Comput. Chem..

Quantum-chemical study of supramolecular complexes (DPyEt)n(AgNO3)m

V. Anisimov, V. Razumov, T. Zyubina, 2002 .

Quantum mechanical binding free energy calculation for phosphopeptide inhibitors of the Lck SH2 domain

Claudio N. Cavasotto, Victor M. Anisimov, C. Cavasotto, 2011, J. Comput. Chem..

NWChem: Past, present, and future.

Jeffery S. Boschen, Nicholas P. Bauman, T. Straatsma, 2020, The Journal of chemical physics.

Post Hartree-Fock Studies of the Canonical Watson-Crick DNA Base Pairs: Molecular Structure and the Nature of Stability

V. Anisimov, V. Danilov, 2005, Journal of biomolecular structure & dynamics.

Polarizable empirical force field for alkanes based on the classical Drude oscillator model.

Alexander D. MacKerell, Alexander D MacKerell, Victor M Anisimov, 2005, The journal of physical chemistry. B.

Understanding the Origin of Structural Diversity of DNA Double Helix

Victor M. Anisimov, Valeri Poltev, Veronica Dominguez, 2021, Comput..

DFT study of minimal fragments of nucleic acid single chain for explication of sequence dependence of DNA duplex conformation

Victor M. Anisimov, A. Deriabina, Andrzej Leś, 2009 .

DFT Study of B-like Conformations of Deoxydinucleoside Monophosphates Containing Gua and/or Cyt and their Complexes with Na+ Cation

Andrzej Leś, Victor M Anisimov, Alexandra Deriabina, 2008, Journal of biomolecular structure & dynamics.

The study of the canonical watson-crick DNA base pairs by moller-plesset perturbation method: The nature of their stability

V. Anisimov, V. Danilov, 2004 .

The role of molecular structure of sugar-phosphate backbone and nucleic acid bases in the formation of single-stranded and double-stranded DNA structures.

Victor M Anisimov, Valeri Poltev, Alexandra Deriabina, 2014, Biopolymers.

Analysis of the conformational features of Watson–Crick duplex fragments by molecular mechanics and quantum mechanics methods

V. Anisimov, N. Polteva, V. Poltev, 2016, Biofizika.

Current Problems in Computer Simulation of Variability of Three-Dimensional Structure of DNA

V. I. Poltev, Victor M. Anisimov, V. Dominguez, 2020 .

DFT study of DNA sequence dependence at the level of dinucleoside monophosphates

V. I. Poltev, Victor M. Anisimov, A. Deriabina, 2011 .

DFT study of polymorphism of the DNA double helix at the level of dinucleoside monophosphates

Victor M. Anisimov, A. Deriabina, Tanja van Mourik, 2010 .