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Sandipan Mohanty's publications

2018, 2018, 2017, 2016, 2015, 2014, 2013, 2012, 2011, 2010, 2009, 2008, 2007, 2006

2019

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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 () [10.1021/acs.jpcb.8b10774] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Peptide Folding in Cellular Environments: A Monte Carlo and Markov Modeling Approach
Computational 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 () [10.1007/978-3-319-95843-9_13] BibTeX | EndNote: XML, Text | RIS

2018

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Markov modeling of peptide folding in the presence of protein crowders
The journal of chemical physics 148(5), 055101 () [10.1063/1.5017031] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

2017

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Protein folding/unfolding in the presence of interacting macromolecular crowders
European physical journal special topics 226(4), 627 - 638 () [10.1140/epjst/e2016-60316-9] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

2016

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CECAM Tutorial - Atomistic Monte Carlo Simulation
Innovatives Supercomputing in Deutschland 14(1), 95 () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Peptide folding in the presence of interacting protein crowders
The journal of chemical physics 144(17), 175105 - () [10.1063/1.4948462] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

2015

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The Mont-Blanc Project: First Phase successfully finished
Innovatives Supercomputing in Deutschland 13(2), 54-57 () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Equilibrium simulation of trp-cage in the presence of protein crowders
The journal of chemical physics 143(17), 175102 () [10.1063/1.4934997] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

2014

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CECAM Tutorial: Atomistic Monte Carlo Simulations of Bio-Molecular Systems
Innovatives Supercomputing in Deutschland 12(2), 90 () OpenAccess  Download fulltext Files  Download fulltextFulltext Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

2013

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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 () [10.1021/ct400534k]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Folding of Top7 in unbiased all-atom Monte Carlo simulations
Proteins 81(8), 1446 - 1456 () [10.1002/prot.24295]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

2012

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Monte Carlo Studies of Protein Aggregation
25th 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 () [10.1016/j.phpro.2012.05.008] BibTeX | EndNote: XML, Text | RIS

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From Computational Biophysics to Systems Biology (CBSB11) Celebrating Harold Scheragas 90th Birthday
Jülich : Forschungszentrum Jülich, Zentralbibliothek, Schriften des Forschungszentrums Jülich : IAS Series 8, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Distinct phases of free a-synuclein - A Monte Carlo study
Proteins 80(9), 2169 - 2177 () [10.1002/prot.24107] BibTeX | EndNote: XML, Text | RIS

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Event-based simulation of interference with alternatingly blocked particle sources
AIP conference proceedings 1424, 246 - 250 () [10.1063/1.3688976] BibTeX | EndNote: XML, Text | RIS

2011

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Accelerating atomic-level protein simulations by flat-histogram techniques
The journal of chemical physics 135, 125102 () [10.1063/1.3643328] Allianz-OA  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Effective All-Atom Potentials for Proteins
Multiscale 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 BibTeX | EndNote: XML, Text | RIS

2010

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Protein folding, aggregation and unfolding in Monte Carlo simulations11
12th 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 () [10.1016/j.phpro.2010.09.046] BibTeX | EndNote: XML, Text | RIS

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Protein Folding an Structure Prediction at the Simulation Laboratory Biology
NIC 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

2009

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An effective all-­atom potential for proteins
PMC Biophysics 2, 2 () [10.1186/1757-5036-2-2] pmc   Download fulltextFulltext Download fulltextFulltext by Pubmed Central BibTeX | EndNote: XML, Text | RIS

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Computer Simulation of Proteins - Thermodynamics and Structure Predictions
The European physical journal / D 51, 33 - 40 () [10.1140/epjd/e2008-00086-2] BibTeX | EndNote: XML, Text | RIS

2008

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"From computational biophysics to systems biology: (CBSB 08) : Symposium, 19.- 21. May 2008 Forschungszentrum Jülich : proceedings
Jülich : John von Neumann Institut for Computing, NIC series 40., 429 S. () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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SMMP v. 3.0 - Simulating proteins and protein interactions in Python and Fortran
Computer physics communications 178, 459 () [10.1016/j.cpc.2007.11.004] BibTeX | EndNote: XML, Text | RIS

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From Computational Biophysics to Systems Biology (CBSB08), 19-21 May 2008, Jülich, Germany
Jülich : FZJ, John von Neumann-Institut für Computing, NIC Series 40, () BibTeX | EndNote: XML, Text | RIS

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The NIC Research Groups Protein Simulations on Massively Parallel Computers
NIC 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 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A Non-Native Helix Extension Channels Folding
NIC 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 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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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 () [10.1073/pnas.0708411105] pmc   Download fulltextFulltext by Pubmed Central BibTeX | EndNote: XML, Text | RIS

2007

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Improving an all-atom force field
Physical review / E 76, 012901 () [10.1103/PhysRevE.76.012901] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Folding of a Miniprotein with mixed Fold
The journal of chemical physics 127, 035102 () [10.1063/1.2753835] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Folding and Aggregation of Proteins in Monte Carlo Simulations
From Computational Biophyscs to Systems Biology (CBSB07). - Jülich, 2007. - (NIC Series ; 36). - S. 227 - 229 BibTeX | EndNote: XML, Text | RIS

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Folding and Aggregation of Proteins with Monte Carlo Simulations
NIC 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 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Dimensionality Reduction Techniques for Protein Folding Trajectories
NIC 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 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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From Computational Biophysics to Systems Biology (CBSB07) : Celebrating 20 Years of NIC
Jülich : FZJ, John von Neumann Institute for Computing, NIC Series 36, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

2006

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From Computational Biophysics to Systems Biology
Jülich : John von Neumann-Institut für Computing, Nic series 34, () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Folding of proteins with diverse folds
Biophysical journal 91, 3537 () [10.1529/biophysj.106.087668] OpenAccess  Download fulltext Files  Download fulltextFulltext by Pubmed Central Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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


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