Concepedia

Design and synthesis of novel Y-shaped barbituric acid derivatives as PPARγ activators

Vaibhav A. Dixit, Prakash Chandra Rathi, Shweta Bhagat, Holger Gohlke, Rasmus K. Petersen, Karsten Kristiansen, Asit K. Chakraborti, Prasad V. Bharatam

European Journal of Medicinal Chemistry · 2015 · 23 citations · 89 references

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89

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

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Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.5K citations

, , +11

Comparative Protein Modelling by Satisfaction of Spatial Restraints

Andrej Šali, Tom L. Blundell · Journal of Molecular Biology · 1993 · 13.2K citations

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The Amber biomolecular simulation programs

David A. Case, Thomas E. Cheatham, Tom Darden et al. · Journal of Computational Chemistry · 2005 · 9.6K citations · Full text

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