Found: 7
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Charge density distributions derived from smoothed electrostatic potential functions: design of protein reduced point charge models.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 10, p. 913, doi. 10.1007/s10822-011-9471-8
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- Article
Efficient molecular mechanics simulations of the folding, orientation, and assembly of peptides in lipid bilayers using an implicit atomic solvation model.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 10, p. 895, doi. 10.1007/s10822-011-9470-9
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- Article
De novo design by pharmacophore-based searches in fragment spaces.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 10, p. 931, doi. 10.1007/s10822-011-9473-6
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- Article
Characterization of PDZ domain-peptide interactions using an integrated protocol of QM/MM, PB/SA, and CFEA analyses.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 10, p. 947, doi. 10.1007/s10822-011-9474-5
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- Article
Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson-Boltzmann surface area calculations.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 10, p. 959, doi. 10.1007/s10822-011-9475-4
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- Article
Discovery of novel human acrosin inhibitors by virtual screening.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 10, p. 977, doi. 10.1007/s10822-011-9476-3
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- Article
Carboxylator: incorporating solvent-accessible surface area for identifying protein carboxylation sites.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 10, p. 987, doi. 10.1007/s10822-011-9477-2
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- Article