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Molecular Simulation Volume 30, 2004 - Issue 11-12
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Original Articles

Effective Binding Force Calculation in Dimeric Proteins

Luca Maragliano INFM National Center on nanoStructure and bioSystems at Surfaces (S 3 ) and Dipartimento di Fisica, Università degli Studi di Modena e Reggio Emilia, Modena, Italy
,
Mauro Ferrario INFM National Center on nanoStructure and bioSystems at Surfaces (S 3 ) and Dipartimento di Fisica, Università degli Studi di Modena e Reggio Emilia, Modena, Italy
&
Giovanni Ciccotti INFM and Dipartimento di Fisica, Università degli Studi di Roma La Sapienza, Roma, Italy
Pages 807-816 | Published online: 26 Oct 2010

Citations (9)

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Amirali Kia & Eric Darve. (2013) The accuracy of the CHARMM22/CMAP and AMBER ff99SB force fields for modelling the antimicrobial peptide cecropin P1. Molecular Simulation 39:11, pages 922-936.
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Articles from other publishers (8)

Tatsuhiko Miyata. 2021. Molecular Basics of Liquids and Liquid-Based Materials. Molecular Basics of Liquids and Liquid-Based Materials 117 168 .
M. F. N. Taufique, Samrat Choudhury & Soumik Banerjee. (2019) Energetics of Solvent-Based Deposition of Fullerene Derivative on the Inorganic–Organic Hybrid Lead Halide Perovskite Surface. The Journal of Physical Chemistry C 123:36, pages 22368-22376.
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Cameron Abrams & Giovanni Bussi. (2013) Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration. Entropy 16:1, pages 163-199.
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Tatsuhiko Miyata, Yasuhiro Ikuta & Fumio Hirata. (2011) Free energy calculation using molecular dynamics simulation combined with the three-dimensional reference interaction site model theory. II. Thermodynamic integration along a spatial reaction coordinate. The Journal of Chemical Physics 134:4.
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Ilja V. Khavrutskii, Joachim Dzubiella & J. Andrew McCammon. (2008) Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads method. The Journal of Chemical Physics 128:4.
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Eric Darve. 2007. Free Energy Calculations. Free Energy Calculations 119 170 .
Eric Darve. 2006. New Algorithms for Macromolecular Simulation. New Algorithms for Macromolecular Simulation 213 249 .
L. Maragliano, M. Falconi, A. Sergi, P. Cioni, S. Castelli, A. Lania, M.E. Stroppolo, G. Strambini, M. Ferrario & A. Desideri. (2005) Experimental and Simulative Dissociation of Dimeric Cu,Zn Superoxide Dismutase Doubly Mutated at the Intersubunit Surface. Biophysical Journal 88:4, pages 2875-2882.
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