Rossen Apostolov
Rossen Apostolov
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GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
S Pronk, S Páll, R Schulz, P Larsson, P Bjelkmar, R Apostolov, MR Shirts, ...
Bioinformatics 29 (7), 845-854, 2013
Gromacs user manual
E Apol, R Apostolov, HJ Berendsen, A Van Buuren, P Bjelkmar, ...
Royal Institute of Technology and Uppsala University, Sweden, 1991
Application of MDGRAPE‐3, a special purpose board for molecular dynamics simulations, to periodic biomolecular systems
G Kikugawa, R Apostolov, N Kamiya, M Taiji, R Himeno, H Nakamura, ...
Journal of Computational Chemistry 30 (1), 110-118, 2009
Sharing data from molecular simulations
M Abraham, R Apostolov, J Barnoud, P Bauer, C Blau, AMJJ Bonvin, ...
Journal of chemical information and modeling 59 (10), 4093-4099, 2019
GROMACS user manual version 4.5. 4
E Apol, R Apostolov, H Berendsen, A Van Buuren, P Bjelkmar, ...
Royal Institute of Technology and Uppsala University, Stockholm, 2010
Association Dynamics and Linear and Nonlinear Optical Properties of an N-Acetylaladanamide Probe in a POPC Membrane
NA Murugan, R Apostolov, Z Rinkevicius, J Kongsted, E Lindahl, H Ågren
Journal of the American Chemical Society 135 (36), 13590-13597, 2013
An efficient and extensible format, library, and API for binary trajectory data from molecular simulations
M Lundborg, R Apostolov, D Spångberg, A Gärdenäs, D van der Spoel, ...
Journal of computational chemistry 35 (3), 260-269, 2014
Scaling of the GROMACS 4.6 molecular dynamics code on SuperMUC
C Kutzner, R Apostolov, B Hess, H Grubmüller
Parallel computing: Accelerating computational science and engineering (CSE …, 2014
GROMACS-4.5. 4 Sweden. 2001–2010
E Apol, R Apostolov, HJC Berendsen
Membrane attachment facilitates ligand access to the active site in monoamine oxidase A
R Apostolov, Y Yonezawa, DM Standley, G Kikugawa, Y Takano, ...
Biochemistry 48 (25), 5864-5873, 2009
Molecular dynamics simulation of amorphous poly (3-hexylthiophene)
FD Tsourtou, LD Peristeras, R Apostolov, VG Mavrantzas
Macromolecules 53 (18), 7810-7824, 2020
The C-terminal cavity of the Na, K-ATPase analyzed by docking and electrophysiology
PA Paulsen, W Jurkowski, R Apostolov, E Lindahl, P Nissen, H Poulsen
Molecular membrane biology 30 (2), 195-205, 2013
MEDIATE-Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions
G Vistoli, C Manelfi, C Talarico, A Fava, A Warshel, IV Tetko, R Apostolov, ...
Expert Opinion on Drug Discovery 18 (8), 821-833, 2023
ScalaLife: scalable software services for Life Science
R Apostolov, L Axner, H Agren, E Ayugade, M Duta, JL Gelpi, J Gimenez, ...
Proceedings of the 9th HealthGrid Conference, 2011
Rethinking Electrostatic Solvers in Particle Simulations for the Exascale Era
S Markidis, G Lapenta, R Apostolov, E Laure
arXiv preprint arXiv:1205.2217, 2012
Rethinking Electrostatic Solvers in Particle Simulations for the Exascale Era
J Deca, S Markidis, G Lapenta, E Járleberg, R Apostolov, E Laure
APS Division of Plasma Physics Meeting Abstracts 54, NP8. 050, 2012
PRACE Autumn School 2012-ScalaLife GROMACS
R Apostolov
Molecular Dynamics Simulations on GPUs
R Apostolov, S Pall
A computational study of the dynamical properties and structural determinants for function of monoamine oxidase A
RP Apostolov
大阪大学, 2008
1P118 A Computational Study of Monoamine Oxidase A Dynamics (Membrane proteins, Poster Presentations)
R Apostolov, Y Yonezawa, H Nakamura
Seibutsu Butsuri 47 (supplement), S53, 2007
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Articles 1–20