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Distance-scaled Force Biased Monte Carlo Simulation for Solutions containing a Strongly Interacting Solute

Pages 405-408 | Received 01 Dec 1989, Accepted 01 Mar 1990, Published online: 23 Sep 2006

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Mihaly Mezei & Frank Guarnieri. (1998) Computer Simulation Studies of the Fully Solvated Wild-type and Mutated GnRH in Extended and βturn Conformations. Journal of Biomolecular Structure and Dynamics 16:3, pages 723-732.
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Dario Ghersi, Abhishek Parakh & Mihaly Mezei. (2017) Comparison of a quantum random number generator with pseudorandom number generators for their use in molecular Monte Carlo simulations. Journal of Computational Chemistry 38:31, pages 2713-2720.
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Rita Khanna & Veena Sahajwalla. 2014. Treatise on Process Metallurgy. Treatise on Process Metallurgy 287 393 .
Erik C. Neyts & Annemie Bogaerts. 2014. Theoretical Chemistry in Belgium. Theoretical Chemistry in Belgium 277 288 .
Erik C. Neyts & Annemie Bogaerts. (2012) Combining molecular dynamics with Monte Carlo simulations: implementations and applications. Theoretical Chemistry Accounts 132:2.
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Charles F.F. Karney. (2007) Quaternions in molecular modeling. Journal of Molecular Graphics and Modelling 25:5, pages 595-604.
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Joshua A. Speidel, Jason R. Banfelder & Mihaly Mezei. (2006) Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations. Journal of Chemical Theory and Computation 2:5, pages 1429-1434.
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Matthew Clark, Frank Guarnieri, Igor Shkurko & Jeff Wiseman. (2005) Grand Canonical Monte Carlo Simulation of Ligand−Protein Binding. Journal of Chemical Information and Modeling 46:1, pages 231-242.
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Patrick J. Fleming, Nicholas C. Fitzkee, Mihaly Mezei, Rajgopal Srinivasan & George D. Rose. (2009) A novel method reveals that solvent water favors polyproline II over β-strand conformation in peptides and unfolded proteins: conditional hydrophobic accessible surface area (CHASA). Protein Science 14:1, pages 111-118.
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Mihaly Mezei, Patrick J. Fleming, Rajgopal Srinivasan & George D. Rose. (2004) Polyproline II helix is the preferred conformation for unfolded polyalanine in water. Proteins: Structure, Function, and Bioinformatics 55:3, pages 502-507.
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Mihaly Mezei. 2002. Computational Methods for Macromolecules: Challenges and Applications. Computational Methods for Macromolecules: Challenges and Applications 177 196 .
H. Kamberaj & V. Helms. (2001) Monte Carlo simulation of biomolecular systems with BIOMCSIM. Computer Physics Communications 141:3, pages 375-402.
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Anne-Marie Sapse, Mihaly Mezei, Iuli Karakhanov & Duli C. Jain. (1997) Solvent effect on the conformation of the Hoechst 33258 agent. Journal of Molecular Structure: THEOCHEM 393:1-3, pages 25-30.
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Peter V. Maye & Mihaly Mezei. (1996) Calculation of the free energy of solvation of the Li+ and Na+ ions in water and chloroform. Journal of Molecular Structure: THEOCHEM 362:3, pages 317-324.
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Richard A. Friedman & Mihaly Mezei. (1995) The potentials of mean force of sodium chloride and sodium dimethylphosphate in water: An application of adaptive umbrella sampling. The Journal of Chemical Physics 102:1, pages 419-426.
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