Pavel Buslaev

Affiliations

Nanoscience Center and Department of Chemistry, University of Jyväskylä, 40014 Jyväskylä, Finland.

ORCID: 0000-0003-2031-4691

Publications (15)

What Is the Protonation State of Proteins in Crystals? Insights from Constant pH Molecular Dynamics Simulations.

The journal of physical chemistry. B

Avec: Noora Aho , Gerrit Groenhof , Pavel Buslaev

Inverse Conformational Selection in Lipid-Protein Binding.

Journal of the American Chemical Society

Avec: Amélie Bacle , Pavel Buslaev , Rebeca Garcia-Fandino , Fernando Favela-Rosales , Tiago Mendes Ferreira , Patrick F J Fuchs , Ivan Gushchin , Matti Javanainen , Anne M Kiirikki , Jesper J Madsen , Josef Melcr , Paula Milán Rodríguez , Markus S Miettinen , O H Samuli Ollila , Chris G Papadopoulos , Antonio Peón , Thomas J Piggot , Ángel Piñeiro , Salla I Virtanen

Approaching Optimal pH Enzyme Prediction with Large Language Models.

ACS synthetic biology

Avec: Mark Zaretckii , Pavel Buslaev , Igor Kozlovskii , Alexander Morozov , Petr Popov

Headgroup Structure and Cation Binding in Phosphatidylserine Lipid Bilayers.

The journal of physical chemistry. B

Avec: Hanne Antila , Pavel Buslaev , Fernando Favela-Rosales , Tiago M Ferreira , Ivan Gushchin , Matti Javanainen , Batuhan Kav , Jesper J Madsen , Josef Melcr , Markus S Miettinen , Jukka Määttä , Ricky Nencini , O H Samuli Ollila , Thomas J Piggot

phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS.

Journal of chemical information and modeling

Avec: Anton Jansen , Noora Aho , Gerrit Groenhof , Pavel Buslaev , Berk Hess

Do All Paths Lead to Rome? How Reliable is Umbrella Sampling Along a Single Path?

Journal of chemical theory and computation

Avec: Noora Aho , Gerrit Groenhof , Pavel Buslaev

A thermostable flavin-based fluorescent protein from Chloroflexus aggregans: a framework for ultra-high resolution structural studies.

Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology

Avec: Vera V Nazarenko , Alina Remeeva , Anna Yudenko , Kirill Kovalev , Anton Dubenko , Ivan M Goncharov , Pavel Kuzmichev , Andrey V Rogachev , Pavel Buslaev , Valentin Borshchevskiy , Alexey Mishin , Gaurao V Dhoke , Ulrich Schwaneberg , Mehdi D Davari , Karl-Erich Jaeger , Ulrich Krauss , Valentin Gordeliy , Ivan Gushchin

Assembly of Spinach Chloroplast ATP Synthase Rotor Ring Protein-Lipid Complex.

Frontiers in molecular biosciences

Avec: Olga Novitskaia , Pavel Buslaev , Ivan Gushchin

Principal component analysis highlights the influence of temperature, curvature and cholesterol on conformational dynamics of lipids.

Biochimica et biophysica acta. Biomembranes

Avec: P Buslaev , K Mustafin , I Gushchin

Controlled-advancement rigid-body optimization of nanosystems.

Journal of computational chemistry

Avec: Petr Popov , Sergei Grudinin , Andrii Kurdiuk , Pavel Buslaev , Stephane Redon

Best Practices in Constant pH MD Simulations: Accuracy and Sampling.

Journal of chemical theory and computation

Avec: Pavel Buslaev , Noora Aho , Anton Jansen , Paul Bauer , Berk Hess , Gerrit Groenhof

Scalable Constant pH Molecular Dynamics in GROMACS.

Journal of chemical theory and computation

Avec: Noora Aho , Pavel Buslaev , Anton Jansen , Paul Bauer , Gerrit Groenhof , Berk Hess

gmXtal: Cooking Crystals with GROMACS.

The protein journal

Avec: Pavel Buslaev , Gerrit Groenhof

Unraveling viral drug targets: a deep learning-based approach for the identification of potential binding sites.

Briefings in bioinformatics

Avec: Petr Popov , Roman Kalinin , Pavel Buslaev , Igor Kozlovskii , Mark Zaretckii , Dmitry Karlov , Alexander Gabibov , Alexey Stepanov

Overlay databank unlocks data-driven analyses of biomolecules for all.

Nature communications

Avec: Anne M Kiirikki , Hanne S Antila , Lara S Bort , Pavel Buslaev , Fernando Favela-Rosales , Tiago Mendes Ferreira , Patrick F J Fuchs , Rebeca Garcia-Fandino , Ivan Gushchin , Batuhan Kav , Norbert Kučerka , Patrik Kula , Milla Kurki , Alexander Kuzmin , Anusha Lalitha , Fabio Lolicato , Jesper J Madsen , Markus S Miettinen , Cedric Mingham , Luca Monticelli , Ricky Nencini , Alexey M Nesterenko , Thomas J Piggot , Ángel Piñeiro , Nathalie Reuter , Suman Samantray , Fabián Suárez-Lestón , Reza Talandashti , O H Samuli Ollila

Réseau de co-auteurs

Gerrit Groenhof 6 collaborations

Noora Aho 5 collaborations

Ivan Gushchin 5 collaborations

Fernando Favela-Rosales 3 collaborations

Jesper J Madsen 3 collaborations

Markus S Miettinen 3 collaborations

O H Samuli Ollila 3 collaborations

Thomas J Piggot 3 collaborations

Petr Popov 3 collaborations

Anton Jansen 3 collaborations

Berk Hess 3 collaborations

Rebeca Garcia-Fandino 2 collaborations

Tiago Mendes Ferreira 2 collaborations

Patrick F J Fuchs 2 collaborations

Matti Javanainen 2 collaborations

Anne M Kiirikki 2 collaborations

Josef Melcr 2 collaborations

Ángel Piñeiro 2 collaborations

Mark Zaretckii 2 collaborations

Igor Kozlovskii 2 collaborations

Batuhan Kav 2 collaborations

Ricky Nencini 2 collaborations

Paul Bauer 2 collaborations

Amélie Bacle 1 collaboration

Paula Milán Rodríguez 1 collaboration

Chris G Papadopoulos 1 collaboration

Antonio Peón 1 collaboration

Salla I Virtanen 1 collaboration

Alexander Morozov 1 collaboration

Hanne Antila 1 collaboration

Tiago M Ferreira 1 collaboration

Jukka Määttä 1 collaboration

Vera V Nazarenko 1 collaboration

Alina Remeeva 1 collaboration

Anna Yudenko 1 collaboration

Kirill Kovalev 1 collaboration

Anton Dubenko 1 collaboration

Ivan M Goncharov 1 collaboration

Pavel Kuzmichev 1 collaboration

Andrey V Rogachev 1 collaboration

Valentin Borshchevskiy 1 collaboration

Alexey Mishin 1 collaboration

Gaurao V Dhoke 1 collaboration

Ulrich Schwaneberg 1 collaboration

Mehdi D Davari 1 collaboration

Karl-Erich Jaeger 1 collaboration

Ulrich Krauss 1 collaboration

Valentin Gordeliy 1 collaboration

Olga Novitskaia 1 collaboration

P Buslaev 1 collaboration

K Mustafin 1 collaboration

I Gushchin 1 collaboration

Sergei Grudinin 1 collaboration

Andrii Kurdiuk 1 collaboration

Stephane Redon 1 collaboration

Roman Kalinin 1 collaboration

Dmitry Karlov 1 collaboration

Alexander Gabibov 1 collaboration

Alexey Stepanov 1 collaboration

Hanne S Antila 1 collaboration

Lara S Bort 1 collaboration

Norbert Kučerka 1 collaboration

Patrik Kula 1 collaboration

Milla Kurki 1 collaboration

Alexander Kuzmin 1 collaboration

Anusha Lalitha 1 collaboration

Fabio Lolicato 1 collaboration

Cedric Mingham 1 collaboration

Luca Monticelli 1 collaboration

Alexey M Nesterenko 1 collaboration

Nathalie Reuter 1 collaboration

Suman Samantray 1 collaboration

Fabián Suárez-Lestón 1 collaboration

Reza Talandashti 1 collaboration