Rossen Apostolov
Rossen Apostolov
Verified email at kth.se
Title
Cited by
Cited by
Year
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
52712013
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
532009
GROMACS user manual version 4.5. 4
E Apol, R Apostolov, HJC Berendsen, A Van Buuren, P Bjelkmar, ...
Royal Institute of Technology and Uppsala University, Stockholm, 2010
272010
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
232013
GROMACS-4.5. 4 Sweden. 2001–2010
E Apol, R Apostolov, HJC Berendsen
21
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
172014
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
172014
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
122009
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
102019
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
72013
ScalaLife–Scalable Software Services for Life Sciences
R Apostolov, H AGREN, L AXNER, E AYGUADE, M Duta, JL Gelpi, ...
Proceedings eChallenges e-2012 Conference, 2012
22012
Molecular Dynamics Simulation of Amorphous Poly (3-hexylthiophene)
FD Tsourtou, LD Peristeras, R Apostolov, VG Mavrantzas
Macromolecules 53 (18), 7810-7824, 2020
12020
Rethinking Electrostatic Solvers in Particle Simulations for the Exascale Era
S Markidis, G Lapenta, R Apostolov, E Laure
arXiv preprint arXiv:1205.2217, 2012
12012
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
2012
PRACE Autumn School 2012-ScalaLife GROMACS
R Apostolov
2012
Molecular Dynamics Simulations on GPUs
R Apostolov, S Pall
2009
A computational study of the dynamical properties and structural determinants for function of monoamine oxidase A
RP Apostolov
大阪大学, 2008
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
2007
1P571 A Computational Study of Monoamine Oxidase A Dynamics (27. Molecular dynamics simulation, Poster Session, Abstract, Meeting Program of EABS & BSJ 2006)
R Apostolov, Y Yonezawa, H Nakamura
Seibutsu Butsuri 46 (supplement2), S289, 2006
2006
3P116 Structural Fundamentals for Monoamine Oxidase A Inhibition Control Revealed by Molecular Dynamics Simulations
R Apostolov, Y Yonezawa, Y Takano, H Nakamura
Seibutsu Butsuri 45 (supplement), S232, 2005
2005
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Articles 1–20