Institute

Sandipan Mohanty's complete publication list

Journal Article Irbäck, A. (Corresponding author) ; Knuthson, L. ; Mohanty, S.FZJ*
Folding lattice proteins confined on minimal grids using a quantum-inspired encoding
Physical review / E 112(4), 045302 (2025) [10.1103/8n7p-7lh2]2025 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Journal Article Irbäck, A. (Corresponding author) ; Knuthson, L. ; Mohanty, S.FZJ* ; Peterson, C.
Using quantum annealing to design lattice proteins
Physical review research 6(1), 013162 (2024) [10.1103/PhysRevResearch.6.013162]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Journal Article Davì, F. ; Erni, W. ; Krusche, B. ; et al
Technical design report for the endcap disc DIRC *
Journal of physics / G 49(12), 120501 - (2022) [10.1088/1361-6471/abb6c1]2022 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Journal Article Irbäck, A. (Corresponding author) ; Knuthson, L. ; Mohanty, S.FZJ* ; Peterson, C.
Folding lattice proteins with quantum annealing
Physical review research 4(4), 043013 (2022) [10.1103/PhysRevResearch.4.043013]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Nilsson, D. ; Bozorg, B. ; Mohanty, S.FZJ* ; Söderberg, B. ; Irbäck, A. (Corresponding author)
Limitations of field-theory simulation for exploring phase separation: The role of repulsion in a lattice protein model
The journal of chemical physics 156(1), 015101 - (2022) [10.1063/5.0070412]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a book Mohanty, S. (Corresponding author)FZJ*
Aggregation and coacervation with Monte Carlo simulations
2020Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly Germany : Elsevier, Progress in Molecular Biology and Translational Science 170, 505-520 (2020)2020 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Li, Y. ; Mohanty, S.FZJ* ; Nilsson, D. ; Hansson, B. ; Mao, K. ; Irbäck, A. (Corresponding author)
When a foreign gene meets its native counterpart: computational biophysics analysis of two PgiC loci in the grass Festuca ovina
Scientific reports 10(1), 18752 (2020) [10.1038/s41598-020-75650-0]2020 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Bille, A. ; Jensen, K. S. ; Mohanty, S.FZJ* ; Akke, M. (Corresponding author) ; Irbäck, A. (Corresponding author)
Stability and Local Unfolding of SOD1 in the Presence of Protein Crowders
The journal of physical chemistry <Washington, DC> / B B, Condensed matter, materials, surfaces, interfaces & biophysical 123(9), 1920-1930 (2019) [10.1021/acs.jpcb.8b10774]2019 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a book Nilsson, D. ; Mohanty, S.FZJ* ; Irbäck, A. (Corresponding author)
Peptide Folding in Cellular Environments: A Monte Carlo and Markov Modeling Approach
2019Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes / Liwo, Adam (Editor) ; Cham : Springer International Publishing, 2019, Chapter 13 ; ISBN: 978-3-319-95842-2=978-3-319-95843-9 Cham : Springer International Publishing, Springer Series on Bio- and Neurosystems 8, 453 - 466 (2019) [10.1007/978-3-319-95843-9_13]2019 BibTeX | EndNote: XML, Text | RIS

Journal Article Nilsson, D. ; Mohanty, S.FZJ* ; Irbäck, A. (Corresponding author)Extern*
Markov modeling of peptide folding in the presence of protein crowders
The journal of chemical physics 148(5), 055101 (2018) [10.1063/1.5017031]2018 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Irbäck, A. (Corresponding author) ; Mohanty, S. (Corresponding author)FZJ*
Protein folding/unfolding in the presence of interacting macromolecular crowders
European physical journal special topics 226(4), 627 - 638 (2017) [10.1140/epjst/e2016-60316-9]2017 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Mohanty, S. (Corresponding author)FZJ*
CECAM Tutorial - Atomistic Monte Carlo Simulation
Innovatives Supercomputing in Deutschland 14(1), 95 (2016)2016 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Bille, A. ; Mohanty, S.FZJ* ; Irbäck, A. (Corresponding author)
Peptide folding in the presence of interacting protein crowders
The journal of chemical physics 144(17), 175105 - (2016) [10.1063/1.4948462]2016 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Allalen, M. ; Brayford, D. ; Tafani, D. ; Weinberg, V. ; Mohr, B.FZJ* ; Brömmel, D.FZJ* ; Halver, R.FZJ* ; Meinke, J.FZJ* ; Mohanty, S.FZJ*
The Mont-Blanc Project: First Phase successfully finished
Innovatives Supercomputing in Deutschland 13(2), 54-57 (2015)2015 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Bille, A.Extern* ; Linse, B. ; Mohanty, S.FZJ* ; Irbäck, A. (Corresponding author)
Equilibrium simulation of trp-cage in the presence of protein crowders
The journal of chemical physics 143(17), 175102 (2015) [10.1063/1.4934997]2015 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Zimmermann, O.FZJ* ; Meinke, J.FZJ* ; Mohanty, S.FZJ*
CECAM Tutorial: Atomistic Monte Carlo Simulations of Bio-Molecular Systems
Innovatives Supercomputing in Deutschland 12(2), 90 (2014)2014 Files Fulltext Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Cong, X. ; Casiraghi, N. ; Rossetti, G. (Corresponding author)FZJ* ; Mohanty, S.FZJ* ; Giachin, G. ; Legname, G. ; Carloni, P.FZJ*
Role of prion disease-linked mutations in the intrinsically disordered N-terminal domain of the prion protein
Journal of chemical theory and computation 9(11), 5158-5167 (2013) [10.1021/ct400534k]2013 Files BibTeX | EndNote: XML, Text | RIS

Journal Article Mohanty, S. (Corresponding author)FZJ* ; Meinke, J.FZJ* ; Zimmermann, O.FZJ*
Folding of Top7 in unbiased all-atom Monte Carlo simulations
Proteins 81(8), 1446 - 1456 (2013) [10.1002/prot.24295]2013 Files BibTeX | EndNote: XML, Text | RIS

Contribution to a book Michielsen, K.FZJ* ; Mohanty, S.FZJ* ; Arnold, L.FZJ* ; De Raedt, H.
Event-based simulation of interference with alternatingly blocked particle sources
Melville, NY : Inst., AIP conference proceedings 1424, 246 - 250 (2012) [10.1063/1.3688976]2012 BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Journal Article Jónsson, S. Æ. ; Staneva, I. ; Mohanty, S.FZJ* ; Irbäck, A. (Corresponding author)
Monte Carlo Studies of Protein Aggregation
201225th Workshop on Computer Simulation Studies in Condensed Matter Physics, AthensAthens, USA, 20 Feb 2012 - 24 Feb 20122012-02-202012-02-24 Physics procedia 34, 49 - 54 (2012) [10.1016/j.phpro.2012.05.008]2012 BibTeX | EndNote: XML, Text | RIS

Report Gibbon, P.FZJ* ; Arnold, L.FZJ* ; Brömmel, D.FZJ* ; Chihaia, V.FZJ* ; Grießbach, S.FZJ* ; Halver, R.FZJ* ; Hoffmann, L.FZJ* ; Karmakar, A.FZJ* ; Meinke, J.FZJ* ; Mohanty, S.FZJ* ; Müller, T.FZJ* ; Schiller, A.FZJ* ; Sutmann, G.FZJ* ; Zimmermann, O.FZJ*
High-Level Support Initiative of the JSC Simulation Laboratories 2011
Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, Berichte des Forschungszentrums Jülich 30 p. (2012)2012 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Jónsson, S. A. ; Mohanty, S.FZJ* ; Irbäck, A.
Distinct phases of free a-synuclein - A Monte Carlo study
Proteins 80(9), 2169 - 2177 (2012) [10.1002/prot.24107]2012 BibTeX | EndNote: XML, Text | RIS

Journal Article Jónsson, S. ; Mohanty, S.FZJ* ; Irbäck, A.
Accelerating atomic-level protein simulations by flat-histogram techniques
The journal of chemical physics 135, 125102 (2011) [10.1063/1.3643328]2011 Allianz-OA Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Irbäck, A. ; Mohanty, S.FZJ*
Effective All-Atom Potentials for Proteins
2011Multiscale Approaches to Protein Modeling, Structure Prediction, Dynamics, Thermodynamics and Macromolecular Assemblies, ed./ A. Kolinski, Springer Verlag, 2011. - 978-1-4419-6888-3. - S. 111 - 126 [10.1007/978-1-4419-6889-0_5] BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Meinke, J. H.FZJ* ; Mohanty, S.FZJ* ; Zimmermann, O.FZJ*
Protein Folding an Structure Prediction at the Simulation Laboratory Biology
2010NIC Symposium 2010, / ed.: G. Münster, D. Wolf, M. Kremer, Jülich, Forschungszentrum Jülich, IAS Series Vol. 3. - 978-3-89336-606-4. - S. 87 - 94 BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Journal Article Mohanty, S.FZJ* ; Irbäck, A. ; Mitternacht, S. ; Favrin, G. ; Hansmann, U. H. E.
Protein folding, aggregation and unfolding in Monte Carlo simulations11
201012th Workshop on Computer Simulation Studies in Condensed Matter Physics, CSP-2007, Athens, GAAthens, GA, USA, 19 Feb 2007 - 23 Feb 20072007-02-192007-02-23 Physics procedia 7, 68 - 71 (2010) [10.1016/j.phpro.2010.09.046]2010 BibTeX | EndNote: XML, Text | RIS

Journal Article Irbäck, A. ; Mitternacht, S. ; Mohanty, S.FZJ*
An effective all-atom potential for proteins
PMC Biophysics 2, 2 (2009) [10.1186/1757-5036-2-2]2009 pmc Fulltext Fulltext by Pubmed Central BibTeX | EndNote: XML, Text | RIS

Journal Article Meinke, J. H.FZJ* ; Mohanty, S.FZJ* ; Nadler, W.FZJ* ; Zimmermann, O.FZJ* ; Hansmann, U. H. E.FZJ*
Computer Simulation of Proteins - Thermodynamics and Structure Predictions
The European physical journal / D 51, 33 - 40 (2009) [10.1140/epjd/e2008-00086-2]2009 BibTeX | EndNote: XML, Text | RIS

Journal Article Meinke, J. H.FZJ* ; Mohanty, S.FZJ* ; Eisenmenger, F. ; Hansmann, U. H. E.FZJ*
SMMP v. 3.0 - Simulating proteins and protein interactions in Python and Fortran
Computer physics communications 178, 459 (2008) [10.1016/j.cpc.2007.11.004]2008 BibTeX | EndNote: XML, Text | RIS

Contribution to a book Mohanty, S.FZJ* ; Hansmann, U. H. E.FZJ*
A Non-Native Helix Extension Channels Folding
2008NIC Series Volume 40 : From Computational Biophysics to Systems Biology (CBSB08), Ulrich H. E. Hansmann, Jan H. Meinke, Sandipan Mohanty, Walter Nadler, Olav Zimmermann (Editors), chapter 77, p. 329-332, Jülich : John von Neumann Institute for Computing, 2008. ISBN: 978-3-9810843-6-8 Jülich : John von Neumann Institute for Computing, NIC series 40, 329-332 (2008)2008 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a book Meinke, J. H.FZJ* ; Mohanty, S.FZJ* ; Nadler, W.FZJ* ; Neuhaus, T.FZJ* ; Zimermann, O.FZJ* ; Hansmann, U. H. E.FZJ*
The NIC Research Groups Protein Simulations on Massively Parallel Computers
2008NIC Series Volume 39 : NIC Symposium 2008, Gernot Münster, Dietrich Wolf, Manfred Kremer (Editors), chapter 2, p. 9-16, Jülich : John von Neumann Institute for Computing, 2008. ISBN: 978-3-9810843-5-1 Jülich : John von Neumann Institute for Computing, NIC series 39, 9-16 (2008)2008 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Mohanty, S.FZJ* ; Meinke, J.FZJ* ; Zimmermann, O.FZJ* ; Hansmann, U. H. E.FZJ*
Simulation of Top7-CFr: a transient helix extension guides folding
Proceedings of the National Academy of Sciences of the United States of America 105, 8004 - 8007 (2008) [10.1073/pnas.0708411105]2008 pmc Fulltext by Pubmed Central BibTeX | EndNote: XML, Text | RIS

Journal Article Mohanty, S.FZJ* ; Hansmann, U. H. E.FZJ*
Improving an all-atom force field
Physical review / E 76(1), 012901 (2007) [10.1103/PhysRevE.76.012901]2007 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Mohanty, S.FZJ* ; Hansmann, U. H. E.FZJ*
Folding of a Miniprotein with mixed Fold
The journal of chemical physics 127, 035102 (2007) [10.1063/1.2753835]2007 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings/Contribution to a book Mohanty, S.FZJ* ; Hansmann, U. H. E.FZJ*
Folding and Aggregation of Proteins in Monte Carlo Simulations
2007From Computational Biophyscs to Systems Biology (CBSB07). - Jülich, 2007. - (NIC Series ; 36). - S. 227 - 229 BibTeX | EndNote: XML, Text | RIS

Contribution to a book Mohanty, S.FZJ* ; Hansmann, U. H. E.FZJ*
Folding and Aggregation of Proteins with Monte Carlo Simulations
2007NIC Series Volume 36: From Computational Biophysics to Systems Biology (CBSB07), Ulrich H. E. Hansmann, Jan Meinke, Sandipan Mohanty, Olav Zimmermann (Editors), chapter 47, p. 227-229, Jülich : John von Neumann Institute for Computing, 2007. ISBN: 978-3-9810843-2-0
Seminar, Jülich, GermanyJülich, Germany, 2 May 20072007-05-02 Jülich : John von Neumann Institute for Computing, NIC series 36, 227-229 (2007)2007 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Contribution to a book Eitrich, T.FZJ* ; Mohanty, S.FZJ* ; Xiao, X.FZJ* ; Hansmann, U. H. E.FZJ*
Dimensionality Reduction Techniques for Protein Folding Trajectories
2007NIC Series Volume 36: From Computational Biophysics to Systems Biology (CBSB07), Ulrich H. E. Hansmann, Jan Meinke, Sandipan Mohanty, Olav Zimmermann (Editors), chapter 17, p. 99-102, Jülich : John von Neumann Institute for Computing, 2007. ISBN: 978-3-9810843-2-0
Seminar, Jülich, GermanyJülich, Germany, 2 May 20072007-05-02 Jülich : John von Neumann Institute for Computing, NIC series 36, 99-102 (2007)2007 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Mohanty, S.FZJ* ; Hansmann, U. H. E.FZJ*
Folding of proteins with diverse folds
Biophysical journal 91, 3537 (2006) [10.1529/biophysj.106.087668]2006 Files Fulltext by Pubmed Central Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Irbäck, A. ; Mohanty, S.FZJ*
PROFASI: a Monte Carlo simulation package for protein folding and aggregation
Journal of computational chemistry 27, 1548 - 1555 (2006) [10.1002/jcc.20452]2006 BibTeX | EndNote: XML, Text | RIS

Last Modified: 04.10.2025

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