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Simultaneous parametrization of torsional and third‐neighbor interaction terms in force‐field development: The LLS‐SC algorithm.
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- Journal of Computational Chemistry, 2022, v. 43, n. 9, p. 644, doi. 10.1002/jcc.26819
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- Article
Computer Modeling Explains the Structural Reasons for the Difference in Reactivity of Amine Transaminases Regarding Prochiral Methylketones.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 2, p. 777, doi. 10.3390/ijms23020777
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- Article
On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio‐Molecular Systems: Overview and Perspective on Issues.
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- ChemPhysChem, 2021, v. 22, n. 3, p. 264, doi. 10.1002/cphc.202000968
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- Article
Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes?
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- Journal of Molecular Modeling, 2020, v. 26, n. 11, p. 1, doi. 10.1007/s00894-020-04548-5
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- Article
gem‐Dichlorocyclopropanation of Dicarbonyl Derivatives.
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- Chemistry - A European Journal, 2019, v. 25, n. 72, p. 16555, doi. 10.1002/chem.201904149
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- Article
Frontispiece: gem‐Dichlorocyclopropanation of Dicarbonyl Derivatives.
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- Chemistry - A European Journal, 2019, v. 25, n. 72, p. N.PAG, doi. 10.1002/chem.201987263
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- Article
Continuous‐Flow Synthesis of (R)‐Propylene Carbonate: An Important Intermediate in the Synthesis of Tenofovir.
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- European Journal of Organic Chemistry, 2018, v. 2018, n. 23, p. 2931, doi. 10.1002/ejoc.201800345
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- Article
Methylsulfenylation of Electrophilic Carbon Atoms: Reaction Development, Scope, and Mechanism.
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- European Journal of Organic Chemistry, 2017, v. 2017, n. 12, p. 1578, doi. 10.1002/ejoc.201601613
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- Article
Chiral Chlorohydrins from the Biocatalyzed Reduction of Chloroketones: Chiral Building Blocks for Antiretroviral Drugs.
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- ChemCatChem, 2015, v. 7, n. 6, p. 984, doi. 10.1002/cctc.201403023
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- Article
Inside Back Cover: Chiral Chlorohydrins from the Biocatalyzed Reduction of Chloroketones: Chiral Building Blocks for Antiretroviral Drugs (ChemCatChem 6/2015).
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- ChemCatChem, 2015, v. 7, n. 6, p. 1029, doi. 10.1002/cctc.201590034
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- Article
Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: Influence on the folding properties of two beta-peptides in methanol.
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- Journal of Computational Chemistry, 2012, v. 33, n. 24, p. 1907, doi. 10.1002/jcc.23021
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- Article
Temperature Dependence of the Dielectric Permittivity of Acetic Acid, Propionic Acid and Their Methyl Esters: A Molecular Dynamics Simulation Study.
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- ChemPhysChem, 2012, v. 13, n. 5, p. 1182, doi. 10.1002/cphc.201100949
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- Article
New functionalities in the GROMOS biomolecular simulation software.
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- Journal of Computational Chemistry, 2012, v. 33, n. 3, p. 340, doi. 10.1002/jcc.21954
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- Article
Correction of 'Dynamical behavior of the vascular endothelial growth factor: Biological implications'.
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- Proteins, 2008, v. 70, n. 1, p. 307, doi. 10.1002/prot.21716
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- Article
Dynamical behavior of the vascular endothelial growth factor: Biological implications.
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- Proteins, 2007, v. 67, n. 3, p. 517, doi. 10.1002/prot.21306
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- Article