Get started
Author

Leonid B. Pereyaslavets

Observed names: L. B. Pereyaslavets, Leonid Pereyaslavets, LeonidB. Pereyaslavets
ORCID: 0000-0001-5410-2318
Observed ORCID: 0000-0001-5410-2318
OpenAlex ID: A5028096134
On the Universe of Protein Folds
2013 · Rachel Kolodny, Leonid Pereyaslavets, et al. · Annual Review of Biophysics · 90
On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulations
2018 · Leonid Pereyaslavets, Igor Kurnikov, et al. · Proceedings of the National Academy of Sciences · 48
Accurate determination of solvation free energies of neutral organic compounds from first principles
2022 · Leonid Pereyaslavets, Ganesh Kamath, et al. · Nature Communications · 42
PDF
Assessment of performance of the general purpose polarizable force field QMPFF3 in condensed phase
2007 · Alexander G. Donchev, Nikolay G. Galkin, et al. · Journal of Computational Chemistry · 29
Quantum mechanical polarizable force field (QMPFF3): Refinement and validation of the dispersion interaction for aromatic carbon
2006 · A. G. Donchev, N. G. Galkin, et al. · The Journal of Chemical Physics · 27
Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions
2023 · Alexey Illarionov, Serzhan Sakipov, et al. · Journal of the American Chemical Society · 26
Protein–Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force Field
2022 · Grzegorz Nawrocki, Igor Leontyev, et al. · Journal of Chemical Theory and Computation · 18
Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields
2016 · Ganesh Kamath, Igor Kurnikov, et al. · Journal of Computer-Aided Molecular Design · 14
Development and Testing of PFFSol1.1, a New Polarizable Atomic Force Field for Calculation of Molecular Interactions in Implicit Water Environment
2012 · Leonid B. Pereyaslavets, Alexey V. Finkelstein · The Journal of Physical Chemistry B · 13
The Determination of Free Energy of Hydration of Water Ions from First Principles
2024 · Oleg Butin, Leonid Pereyaslavets, et al. · Journal of Chemical Theory and Computation · 12
PDF
Polarizable Force Fields for Proteins
2014 · Oleg Khoruzhii, Oleg Butin, et al. · Springer eBooks · 12
Atomic force field FFsol for calculating molecular interactions in water environment
2010 · L. B. Pereyaslavets, A. V. Finkelstein · Molecular Biology · 12
Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties
2024 · Igor V. Kurnikov, Leonid Pereyaslavets, et al. · Journal of Chemical Theory and Computation · 11
PDF
Is there an advantageous arrangement of aromatic residues in proteins? Statistical analysis of aromatic interactions in globular proteins
2021 · Mikhail Yu. Lobanov, Leonid B. Pereyaslavets, et al. · Computational and Structural Biotechnology Journal · 10
PDF
Combining Force Fields and Neural Networks for an Accurate Representation of Bonded Interactions
2024 · Ganesh Kamath, Alexey Illarionov, et al. · The Journal of Physical Chemistry A · 7
PDF
FoldNucleus: web server for the prediction of RNA and protein folding nuclei from their 3D structures
2015 · Leonid B. Pereyaslavets, Igor V. Sokolovsky, et al. · Bioinformatics · 6
Right‐ and left‐handed three‐helix proteins. I. Experimental and simulation analysis of differences in folding and structure
2013 · Anna V. Glyakina, Leonid B. Pereyaslavets, et al. · Proteins Structure Function and Bioinformatics · 6
Folding of Right‐ and Left‐Handed Three‐Helix Proteins
2014 · Oxana V. Galzitskaya, Leonid B. Pereyaslavets, et al. · Israel Journal of Chemistry · 4
Prediction of folding nuclei in tRNA molecules
2011 · L. B. Pereyaslavets, M. V. Baranov, et al. · Biochemistry (Moscow) · 4
What handedness and angles between helices has the studied three-helical protein domain?
2014 · Leonid B. Pereyaslavets, Anna V. Glyakina, et al. · Bioinformatics · 2
PDF
Theoretical Search for RNA Folding Nuclei
2015 · Leonid Pereyaslavets, Oxana Galzitskaya · Entropy · 1
PDF
Statistical analysis of aromatic interactions in globular proteins
2024 · Mikhail Lobanov, Leonid Pereyaslavets, et al.
PDF
Development and Testing of PFFSol1.1, a New Polarizable Atomic Force Field for Calculation of Molecular Interactions in Implicit Water Environment B
2012 · LeonidB. Pereyaslavets, Alexei V. Finkelstein · The Journal of Physical Chemistry
CRAFT database for development and testing force fields
2010 · Leonid Pereyaslavets, Alexei Finkelstein · Acta Crystallographica Section A Foundations of Crystallography
PDF
Works count: 24
Citation count: 394
H-index: 12
I10-index: 14
Year
Topic
Type