Roland Schulz

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Jeremy C SmithUniversity of Tennessee KnoxvilleDirección de correo verificada de ornl.gov
Erik LindahlProfessor of Biophysics, Stockholm University & KTH, Science for Life LaboratoryDirección de correo verificada de dbb.su.se
Berk HessKTH Royal Institute of Technology, Stockholm, Sweden; Science for Life Laboratory, Stockholm, SwedenDirección de correo verificada de scilifelab.se
Mark AbrahamVoxo ABDirección de correo verificada de kth.se
Szilárd PállResearcher, PDC KTH Royal Institute of TechnologyDirección de correo verificada de kth.se
Loukas PetridisStaff Scientist, Oak Ridge National LaboratoryDirección de correo verificada de ornl.gov
Peter KassonProfessor, Georgia Tech and University of Virginia and Wallenberg Academy Fellow, Uppsala UniversityDirección de correo verificada de gatech.edu
Pär BjelkmarDirección de correo verificada de inera.se
Rossen ApostolovResearcher, KTH Royal Institute of TechnologyDirección de correo verificada de kth.se
Per LarssonAssociate Professor, Uppsala UniversityDirección de correo verificada de farmaci.uu.se
David van der SpoelProfessor of Biology, Uppsala UniversityDirección de correo verificada de xray.bmc.uu.se
Michael R. ShirtsProfessor of Chemical and Biological Engineering, University of Colorado BoulderDirección de correo verificada de colorado.edu
John PennycookPrincipal Engineer, Intel CorporationDirección de correo verificada de intel.com
Marimuthu KrishnanIIIT-Hyderabad; Past: JNCASR, Heidelberg University, Oak Ridge Lab, Michigan State UniversityDirección de correo verificada de iiit.ac.in
Gregg T. BeckhamNational Renewable Energy LaboratoryDirección de correo verificada de nrel.gov
Michael F CrowleyPrincipal Scientist, National Renewable Energy LaboratoryDirección de correo verificada de nrel.gov
Isabella DaidoneUniversity of L'AquilaDirección de correo verificada de univaq.it
René PoolDepartment of Biological Psychology, Faculty of Behavioural and Movement Sciences, VU UniversityDirección de correo verificada de vu.nl
Anton FeenstraAssistant professor of Bioinformatics, IBIVU Centre for Integrative Bioinformatics, VU UniversityDirección de correo verificada de vu.nl
Hao-Bo GuoResearch Scientist, AFRL/UES (BlueHalo)Dirección de correo verificada de us.af.mil

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Roland Schulz

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Dirección de correo verificada de rschulz.eu

Computational Biophysics High-Performance Computing


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl SoftwareX 1, 19-25, 2015	19408	2015
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	7620	2013
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers, SoftwareX. 1–2 (2015) 19–25 MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl	352	2015
Pá ll S, Smith JC, Hess B, et al. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX. 2015; 1–2: 19–25 MJ Abraham, T Murtola, R Schulz	315
GROMACS: High performance molecular simulations through This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. multi-level parallelism from laptops … MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl So wareX 1 (2), 19-25, 2015	268	2015
Common processes drive the thermochemical pretreatment of lignocellulosic biomass P Langan, L Petridis, HM O'Neill, SV Pingali, M Foston, Y Nishiyama, ... Green Chemistry 16 (1), 63-68, 2014	249	2014
Mechanism of lignin inhibition of enzymatic biomass deconstruction JV Vermaas, L Petridis, X Qi, R Schulz, B Lindner, JC Smith Biotechnology for biofuels 8, 1-16, 2015	245	2015
Simulation analysis of the temperature dependence of lignin structure and dynamics L Petridis, R Schulz, JC Smith Journal of the American Chemical Society 133 (50), 20277-20287, 2011	148	2011
Scaling of multimillion-atom biological molecular dynamics simulation on a petascale supercomputer R Schulz, B Lindner, L Petridis, JC Smith Journal of Chemical Theory and Computation 5 (10), 2798-2808, 2009	137	2009
SoftwareX 1–2, 19 (2015) MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl DOI https://doi. org/10.1016/j. softx 1, 2015	82	2015
Task‐parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high‐performance super‐computers B Collignon, R Schulz, JC Smith, J Baudry Journal of computational Chemistry 32 (6), 1202-1209, 2011	70	2011
Solvent-driven preferential association of lignin with regions of crystalline cellulose in molecular dynamics simulation B Lindner, L Petridis, R Schulz, JC Smith Biomacromolecules 14 (10), 3390-3398, 2013	69	2013
Gromacs user manual E Apol, R Apostolov, HJ Berendsen, A Van Buuren, P Bjelkmar, ... Royal Institute of Technology and Uppsala University, Sweden, 1991	63	1991
Hydration control of the mechanical and dynamical properties of cellulose L Petridis, HM O’Neill, M Johnsen, B Fan, R Schulz, E Mamontov, ... Biomacromolecules 15 (11), 4152-4159, 2014	59	2014
Bacillus subtilis Lipid Extract, A Branched-Chain Fatty Acid Model Membrane JD Nickels, S Chatterjee, B Mostofian, CB Stanley, M Ohl, P Zolnierczuk, ... The journal of physical chemistry letters 8 (17), 4214-4217, 2017	56	2017
GROMACS 2023.1 Manual M Abraham, A Alekseenko, C Bergh, C Blau, E Briand, M Doijade, ... GROMACS: Groningen, The Netherlands, 2023	52	2023
Data parallel c++ enhancing sycl through extensions for productivity and performance B Ashbaugh, A Bader, J Brodman, J Hammond, M Kinsner, J Pennycook, ... Proceedings of the International Workshop on OpenCL, 1-2, 2020	51	2020
Initial recognition of a cellodextrin chain in the cellulose-binding tunnel may affect cellobiohydrolase directional specificity PK GhattyVenkataKrishna, EM Alekozai, GT Beckham, R Schulz, ... Biophysical journal 104 (4), 904-912, 2013	38	2013
Instantaneous normal modes and the protein glass transition R Schulz, M Krishnan, I Daidone, JC Smith Biophysical Journal 96 (2), 476-484, 2009	21	2009
Enabling grand‐canonical Monte Carlo: Extending the flexibility of GROMACS through the GromPy python interface module R Pool, J Heringa, M Hoefling, R Schulz, JC Smith, KA Feenstra Journal of Computational Chemistry 33 (12), 1207-1214, 2012	12	2012

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