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The Protein Journal
|
August 24, 2023
gmXtal: Cooking Crystals with GROMACS
Pavel Buslaev, Gerrit Groenhof
Scientific Reports
|
September 15, 2017
Effects of Coarse Graining and Saturation of Hydrocarbon Chains on Structure and Dynamics of Simulated Lipid Molecules
Pavel Buslaev, Ivan Gushchin
Frontiers in Molecular Biosciences
|
December 19, 2019
Assembly of Spinach Chloroplast ATP Synthase Rotor Ring Protein-Lipid Complex
Olga Novitskaia, Pavel Buslaev, Ivan Gushchin
The Journal of Physical Chemistry. B
|
October 31, 2024
What Is the Protonation State of Proteins in Crystals? Insights from Constant pH Molecular Dynamics Simulations
Noora Aho, Gerrit Groenhof, Pavel Buslaev
Journal of Chemical Theory and Computation
|
July 23, 2024
Do All Paths Lead to Rome? How Reliable is Umbrella Sampling Along a Single Path?
Noora Aho, Gerrit Groenhof, Pavel Buslaev
Journal of Chemical Theory and Computation
|
January 15, 2016
Principal Component Analysis of Lipid Molecule Conformational Changes in Molecular Dynamics Simulations
Pavel Buslaev, Valentin Gordeliy, Sergei Grudinin, et al.
Journal of Chemical Information and Modeling
|
January 12, 2024
phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS
Anton Jansen, Noora Aho, Gerrit Groenhof, et al.
ACS Synthetic Biology
|
August 28, 2024
Approaching Optimal pH Enzyme Prediction with Large Language Models
Mark Zaretckii, Pavel Buslaev, Igor Kozlovskii, et al.
Journal of Computational Chemistry
|
June 30, 2019
Controlled-advancement rigid-body optimization of nanosystems
Petr Popov, Sergei Grudinin, Andrii Kurdiuk, et al.
Journal of Chemical Theory and Computation
|
September 15, 2022
Best Practices in Constant pH MD Simulations: Accuracy and Sampling
Pavel Buslaev, Noora Aho, Anton Jansen, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
The Protein Journal
|
August 24, 2023
gmXtal: Cooking Crystals with GROMACS
Pavel Buslaev, Gerrit Groenhof
Scientific Reports
|
September 15, 2017
Effects of Coarse Graining and Saturation of Hydrocarbon Chains on Structure and Dynamics of Simulated Lipid Molecules
Pavel Buslaev, Ivan Gushchin
Frontiers in Molecular Biosciences
|
December 19, 2019
Assembly of Spinach Chloroplast ATP Synthase Rotor Ring Protein-Lipid Complex
Olga Novitskaia, Pavel Buslaev, Ivan Gushchin
The Journal of Physical Chemistry. B
|
October 31, 2024
What Is the Protonation State of Proteins in Crystals? Insights from Constant pH Molecular Dynamics Simulations
Noora Aho, Gerrit Groenhof, Pavel Buslaev
Journal of Chemical Theory and Computation
|
July 23, 2024
Do All Paths Lead to Rome? How Reliable is Umbrella Sampling Along a Single Path?
Noora Aho, Gerrit Groenhof, Pavel Buslaev
Journal of Chemical Theory and Computation
|
January 15, 2016
Principal Component Analysis of Lipid Molecule Conformational Changes in Molecular Dynamics Simulations
Pavel Buslaev, Valentin Gordeliy, Sergei Grudinin, et al.
Journal of Chemical Information and Modeling
|
January 12, 2024
phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS
Anton Jansen, Noora Aho, Gerrit Groenhof, et al.
ACS Synthetic Biology
|
August 28, 2024
Approaching Optimal pH Enzyme Prediction with Large Language Models
Mark Zaretckii, Pavel Buslaev, Igor Kozlovskii, et al.
Journal of Computational Chemistry
|
June 30, 2019
Controlled-advancement rigid-body optimization of nanosystems
Petr Popov, Sergei Grudinin, Andrii Kurdiuk, et al.
Journal of Chemical Theory and Computation
|
September 15, 2022
Best Practices in Constant pH MD Simulations: Accuracy and Sampling
Pavel Buslaev, Noora Aho, Anton Jansen, et al.
Page
of 2