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Dmitry Nerukh

Showing results (11-20 of 30) with videos related to

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The Journal of Chemical Physics|March 3, 2010
Identifying and correcting non-Markov states in peptide conformational dynamicsDmitry Nerukh, Christian H Jensen, Robert C Glen
Journal of Biomolecular Structure & Dynamics|July 25, 2020
Structural insight into TNF-α inhibitors through combining pharmacophore-based virtual screening and molecular dynamic simulationHina Qaiser, Maria Saeed, Dmitry Nerukh, et al.
Physical Chemistry Chemical Physics : PCCP|December 1, 2010
Self-assembly of trehalose molecules on a lysozyme surface: the broken glass hypothesisMaxim V Fedorov, Jonathan M Goodman, Dmitry Nerukh, et al.
The Journal of Chemical Physics|November 2, 2010
Identification of metastable states in peptide's dynamicsSvitlana Ruzhytska, Martin Nilsson Jacobi, Christian H Jensen, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|July 2, 2014
Multiscale modelling: approaches and challengesSergey Karabasov, Dmitry Nerukh, Alfons Hoekstra, et al.
Faraday Discussions|October 24, 2014
Visualising and controlling the flow in biomolecular systems at and between multiple scales: from atoms to hydrodynamics at different locations in time and spaceEvgen Pavlov, Makoto Taiji, Arturs Scukins, et al.
The Journal of Physical Chemistry Letters|October 27, 2021
Protein-Ligand Dissociation Rate Constant from All-Atom SimulationEkaterina Maximova, Eugene B Postnikov, Anastasia I Lavrova, et al.
Physical Chemistry Chemical Physics : PCCP|November 2, 2021
Constant pH molecular dynamics of porcine circovirus 2 capsid protein reveals a mechanism for capsid assemblyElvira Tarasova, Noriaki Okimoto, Shanshan Feng, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|July 2, 2014
Concurrent multiscale modelling of atomistic and hydrodynamic processes in liquidsAnton Markesteijn, Sergey Karabasov, Arturs Scukins, et al.
Physical Chemistry Chemical Physics : PCCP|August 29, 2025
<i>N</i>-(Pyridin-3-yl)pyrimidin-4-amine analogues as potent CDK2 inhibitors: an <i>in silico</i> investigative approachMuhammad Shafiq, Maria Nasim, Dmitry Nerukh, et al.
Pageof 3

Showing results (11-20 of 30) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|March 3, 2010
Identifying and correcting non-Markov states in peptide conformational dynamicsDmitry Nerukh, Christian H Jensen, Robert C Glen
Journal of Biomolecular Structure & Dynamics|July 25, 2020
Structural insight into TNF-α inhibitors through combining pharmacophore-based virtual screening and molecular dynamic simulationHina Qaiser, Maria Saeed, Dmitry Nerukh, et al.
Physical Chemistry Chemical Physics : PCCP|December 1, 2010
Self-assembly of trehalose molecules on a lysozyme surface: the broken glass hypothesisMaxim V Fedorov, Jonathan M Goodman, Dmitry Nerukh, et al.
The Journal of Chemical Physics|November 2, 2010
Identification of metastable states in peptide's dynamicsSvitlana Ruzhytska, Martin Nilsson Jacobi, Christian H Jensen, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|July 2, 2014
Multiscale modelling: approaches and challengesSergey Karabasov, Dmitry Nerukh, Alfons Hoekstra, et al.
Faraday Discussions|October 24, 2014
Visualising and controlling the flow in biomolecular systems at and between multiple scales: from atoms to hydrodynamics at different locations in time and spaceEvgen Pavlov, Makoto Taiji, Arturs Scukins, et al.
The Journal of Physical Chemistry Letters|October 27, 2021
Protein-Ligand Dissociation Rate Constant from All-Atom SimulationEkaterina Maximova, Eugene B Postnikov, Anastasia I Lavrova, et al.
Physical Chemistry Chemical Physics : PCCP|November 2, 2021
Constant pH molecular dynamics of porcine circovirus 2 capsid protein reveals a mechanism for capsid assemblyElvira Tarasova, Noriaki Okimoto, Shanshan Feng, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|July 2, 2014
Concurrent multiscale modelling of atomistic and hydrodynamic processes in liquidsAnton Markesteijn, Sergey Karabasov, Arturs Scukins, et al.
Physical Chemistry Chemical Physics : PCCP|August 29, 2025
<i>N</i>-(Pyridin-3-yl)pyrimidin-4-amine analogues as potent CDK2 inhibitors: an <i>in silico</i> investigative approachMuhammad Shafiq, Maria Nasim, Dmitry Nerukh, et al.
Pageof 3