E-LIB Suche - Ergebnisse für: Buslaev, Pavel

1

phbuilder: A Tool for Efficiently Setting up Constant pH Mo..:

Jansen, Anton ; Aho, Noora ; Groenhof, Gerrit..
Journal of Chemical Information and Modeling. 64 (2024) 3 - p. 567-574 , 2024

Link: https://doi.org/10.1021/..

2

Overlay databank unlocks data-driven analyses of biomolecul..:

Kiirikki, Anne M. ; Antila, Hanne S. ; Bort, Lara S....
Nature Communications. 15 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

3

Unraveling viral drug targets: a deep learning-based approa..:

Popov, Petr ; Kalinin, Roman ; Buslaev, Pavel...
Briefings in Bioinformatics. 25 (2023) 1 - p. , 2023

Link: https://doi.org/10.1093/..

4

gmXtal: Cooking Crystals with GROMACS:

Buslaev, Pavel ; Groenhof, Gerrit
The Protein Journal. 43 (2023) 2 - p. 200-206 , 2023

Link: https://doi.org/10.1007/..

5

Scalable Constant pH Molecular Dynamics in GROMACS:

Aho, Noora ; Buslaev, Pavel ; Jansen, Anton...
Journal of Chemical Theory and Computation. 18 (2022) 10 - p. 6148-6160 , 2022

Link: https://doi.org/10.1021/..

6

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

Buslaev, Pavel ; Aho, Noora ; Jansen, Anton...
Journal of Chemical Theory and Computation. 18 (2022) 10 - p. 6134-6147 , 2022

Link: https://doi.org/10.1021/..

7

Inverse Conformational Selection in Lipid–Protein Binding:

Bacle, Amélie ; Buslaev, Pavel ; Garcia-Fandino, Rebeca...
Journal of the American Chemical Society. 143 (2021) 34 - p. 13701-13709 , 2021

Link: https://doi.org/10.1021/..

8

Headgroup Structure and Cation Binding in Phosphatidylserin..:

Antila, Hanne ; Buslaev, Pavel ; Favela-Rosales, Fernando...
The Journal of Physical Chemistry B. 123 (2019) 43 - p. 9066-9079 , 2019

Link: https://doi.org/10.1021/..

9

Controlled‐advancement rigid‐body optimization of nanosyste..:

Popov, Petr ; Grudinin, Sergei ; Kurdiuk, Andrii..
Journal of Computational Chemistry. 40 (2019) 27 - p. 2391-2399 , 2019

Link: https://doi.org/10.1002/..

10

Assembly of Spinach Chloroplast ATP Synthase Rotor Ring Pro..:

Novitskaia, Olga ; Buslaev, Pavel ; Gushchin, Ivan
Frontiers in Molecular Biosciences. 6 (2019) - p. , 2019

Link: https://doi.org/10.3389/..

11

A thermostable flavin-based fluorescent protein from Chloro..:

Nazarenko, Vera V. ; Remeeva, Alina ; Yudenko, Anna...
Photochemical & Photobiological Sciences. 18 (2019) 7 - p. 1793-1805 , 2019

Link: https://doi.org/10.1039/..

12

Mechanism of transmembrane signaling by sensor histidine ki..:

Gushchin, Ivan ; Melnikov, Igor ; Polovinkin, Vitaly...
Science. 356 (2017) 6342 - p. 1043 ff. , 2017

Link: https://www.jstor.org/st..

13

Mechanism of transmembrane signaling by sensor histidine ki..:

Gushchin, Ivan ; Melnikov, Igor ; Polovinkin, Vitaly...
Science. 356 (2017) 6342 - p. , 2017

Link: https://doi.org/10.1126/..

14

Effects of Coarse Graining and Saturation of Hydrocarbon Ch..:

Buslaev, Pavel ; Gushchin, Ivan
Scientific Reports. 7 (2017) 1 - p. , 2017

Link: https://doi.org/10.1038/..

15

Principal Component Analysis of Lipid Molecule Conformation..:

Buslaev, Pavel ; Gordeliy, Valentin ; Grudinin, Sergei.
Journal of Chemical Theory and Computation. 12 (2016) 3 - p. 1019-1028 , 2016

Link: https://doi.org/10.1021/..