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Boris Fain

Showing results (1-10 of 12) with videos related to

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Proceedings of the National Academy of Sciences of the United States of America|August 20, 2003
Funnel sculpting for in silico assembly of secondary structure elements of proteinsBoris Fain, Michael Levitt
Proceedings of the National Academy of Sciences of the United States of America|December 31, 2002
Automatic classification of protein structure by using Gauss integralsPeter Rogen, Boris Fain
Protein Science : a Publication of the Protein Society|July 27, 2002
Design of an optimal Chebyshev-expanded discrimination function for globular proteinsBoris Fain, Yu Xia, Michael Levitt
BMC Structural Biology|June 23, 2004
Improved protein structure selection using decoy-dependent discriminatory functionsKai Wang, Boris Fain, Michael Levitt, et al.
Journal of Computer-Aided Molecular Design|September 3, 2016
Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fieldsGanesh Kamath, Igor Kurnikov, Boris Fain, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 22, 2018
On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulationsLeonid Pereyaslavets, Igor Kurnikov, Ganesh Kamath, et al.
Journal of Chemical Theory and Computation|January 19, 2024
Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic PropertiesIgor V Kurnikov, Leonid Pereyaslavets, Ganesh Kamath, et al.
Journal of Chemical Theory and Computation|June 6, 2024
The Determination of Free Energy of Hydration of Water Ions from First PrinciplesOleg Butin, Leonid Pereyaslavets, Ganesh Kamath, et al.
The Journal of Physical Chemistry. A|January 17, 2024
Combining Force Fields and Neural Networks for an Accurate Representation of Bonded InteractionsGanesh Kamath, Alexey Illarionov, Serzhan Sakipov, et al.
Journal of the American Chemical Society|October 19, 2023
Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular InteractionsAlexey Illarionov, Serzhan Sakipov, Leonid Pereyaslavets, et al.
Pageof 2

Showing results (1-10 of 12) with videos related to

Sort By:
Pageof 2
Proceedings of the National Academy of Sciences of the United States of America|August 20, 2003
Funnel sculpting for in silico assembly of secondary structure elements of proteinsBoris Fain, Michael Levitt
Proceedings of the National Academy of Sciences of the United States of America|December 31, 2002
Automatic classification of protein structure by using Gauss integralsPeter Rogen, Boris Fain
Protein Science : a Publication of the Protein Society|July 27, 2002
Design of an optimal Chebyshev-expanded discrimination function for globular proteinsBoris Fain, Yu Xia, Michael Levitt
BMC Structural Biology|June 23, 2004
Improved protein structure selection using decoy-dependent discriminatory functionsKai Wang, Boris Fain, Michael Levitt, et al.
Journal of Computer-Aided Molecular Design|September 3, 2016
Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fieldsGanesh Kamath, Igor Kurnikov, Boris Fain, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 22, 2018
On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulationsLeonid Pereyaslavets, Igor Kurnikov, Ganesh Kamath, et al.
Journal of Chemical Theory and Computation|January 19, 2024
Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic PropertiesIgor V Kurnikov, Leonid Pereyaslavets, Ganesh Kamath, et al.
Journal of Chemical Theory and Computation|June 6, 2024
The Determination of Free Energy of Hydration of Water Ions from First PrinciplesOleg Butin, Leonid Pereyaslavets, Ganesh Kamath, et al.
The Journal of Physical Chemistry. A|January 17, 2024
Combining Force Fields and Neural Networks for an Accurate Representation of Bonded InteractionsGanesh Kamath, Alexey Illarionov, Serzhan Sakipov, et al.
Journal of the American Chemical Society|October 19, 2023
Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular InteractionsAlexey Illarionov, Serzhan Sakipov, Leonid Pereyaslavets, et al.
Pageof 2