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P

Pavel Buslaev

research center julich

16H-index
42Paper Count
990Citation Count
Published Papers 14
Publication Date
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Approaching Optimal pH Enzyme Prediction with Large Language Models
errACS SYNTHETIC BIOLOGY
IF3.9
err2024-08-28
err1
errOAAI
errZaretckii, Mark; Buslaev, Pavel; Kozlovskii, Igor; Morozov, Alexander; Popov, Petr
errShare
errSave
Do All Paths Lead to Rome? How Reliable is Umbrella Sampling Along a Single Path?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-07-22
err9
PREAI
errAho, Noora; Groenhof, Gerrit; Buslaev, Pavel
errShare
errSave
Overlay databank unlocks data-driven analyses of biomolecules for all
errNATURE COMMUNICATIONS
IF15.7
err2024-02-07
err9
errOAAI
errKiirikki, Anne M.; Antila, Hanne S.; Bort, Lara S.; Buslaev, Pavel; Favela-Rosales, Fernando; Ferreira, Tiago Mendes; Fuchs, Patrick F. J.; Garcia-Fandino, Rebeca; Gushchin, Ivan; Kav, Batuhan; Kucerka, Norbert; Kula, Patrik; Kurki, Milla; Kuzmin, Alexander; Lalitha, Anusha; Lolicato, Fabio; Madsen, Jesper J.; Miettinen, Markus S.; Mingham, Cedric; Monticelli, Luca; Nencini, Ricky; Nesterenko, Alexey M.; Piggot, Thomas J.; Pineiro, Angel; Reuter, Nathalie; Samantray, Suman; Suarez-Leston, Fabian; Talandashti, Reza; Ollila, O. H. Samuli
errShare
errSave
phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-01-12
err6
errOAAI
errJansen, Anton; Aho, Noora; Groenhof, Gerrit; Buslaev, Pavel; Hess, Berk
errShare
errSave
Unraveling viral drug targets: a deep learning-based approach for the identification of potential binding sites
errBRIEFINGS IN BIOINFORMATICS
IF7.7
err2023-12-18
err4
errOAAI
errPopov, Petr; Kalinin, Roman; Buslaev, Pavel; Kozlovskii, Igor; Zaretckii, Mark; Karlov, Dmitry; Gabibov, Alexander; Stepanov, Alexey
errShare
errSave
Scalable Constant pH Molecular Dynamics in GROMACS
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-21
err64
errOAAI
errAho, Noora; Buslaev, Pavel; Jansen, Anton; Bauer, Paul; Groenhof, Gerrit; Hess, Berk
errShare
errSave
Best Practices in Constant pH MD Simulations: Accuracy and Sampling
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-15
err34
errOAAI
errBuslaev, Pavel; Aho, Noora; Jansen, Anton; Bauer, Paul; Hess, Berk; Groenhof, Gerrit
errShare
errSave
Inverse Conformational Selection in Lipid-Protein Binding
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2021-08-16
err18
errOAAI
errBacle, Amelie; Buslaev, Pavel; Garcia-Fandino, Rebeca; Favela-Rosales, Fernando; Ferreira, Tiago Mendes; Fuchs, Patrick F. J.; Gushchin, Ivan; Javanainen, Matti; Kiirikki, Anne M.; Madsen, Jesper J.; Melcr, Josef; Rodriguez, Paula Milan; Miettinen, Markus S.; Ollila, O. H. Samuli; Papadopoulos, Chris G.; Peon, Antonio; Piggot, Thomas J.; Pineiro, Angel; Virtanen, Salla, I
errShare
errSave
Assembly of Spinach Chloroplast ATP Synthase Rotor Ring Protein-Lipid Complex
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2019-11-29
err7
errOAAI
errNovitskaia, Olga; Buslaev, Pavel; Gushchin, Ivan
errShare
errSave
Controlled-advancement rigid-body optimization of nanosystems
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2019-06-29
err0
PREAI
errPopov, Petr; Grudinin, Sergei; Kurdiuk, Andrii; Buslaev, Pavel; Redon, Stephane
errShare
errSave
Effects of Coarse Graining and Saturation of Hydrocarbon Chains on Structure and Dynamics of Simulated Lipid Molecules
errSCIENTIFIC REPORTS
IF3.9
err2017-09-13
err15
errOAAI
errBuslaev, Pavel; Gushchin, Ivan
errShare
errSave
Principal Component Analysis of Lipid Molecule Conformational Changes in Molecular Dynamics Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-02-04
err31
PREAI
errBuslaev, Pavel; Gordeliy, Valentin; Grudinin, Sergei; Gushchin, Ivan
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errSave
Structure of the light-driven sodium pump KR2 and its implications for optogenetics
errFEBS JOURNAL
IF4.2
err2015-11-26
err42
errOAAI
errGushchin, Ivan; Shevchenko, Vitaly; Polovinkin, Vitaly; Borshchevskiy, Valentin; Buslaev, Pavel; Bamberg, Ernst; Gordeliy, Valentin
errShare
errSave
Deeply subwavelength electromagnetic Tamm states in graphene metamaterials
errPHYSICAL REVIEW B
IF3.7
err2014-06-10
err34
errOAAI
errSmirnova, Daria; Buslaev, Pavel; Iorsh, Ivan; Shadrivov, Ilya V.; Belov, Pavel A.; Kivshar, Yuri S.
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errSave

Research Directions

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Co-authors
Cooperation Journals
Y
Yuri S. Kivshar
H-index: 155 · Papers: 2.1K
E
Ernst Bamberg
H-index: 70 · Papers: 223
P
Pavel A. Belov
H-index: 69 · Papers: 649
I
Ilya V. Shadrivov
H-index: 50 · Papers: 344
L
Luca Monticelli
H-index: 49 · Papers: 156
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