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Publications by Ignacio Soteras Gutiérrez
Parametrization of Halogen Bonds in the CHARMM General Force Field: Improved Treatment of Ligand–protein Interactions
Bioorganic and Medicinal Chemistry
Organic Chemistry
Molecular Medicine
Molecular Biology
Biochemistry
Clinical Biochemistry
Pharmaceutical Science
Drug Discovery
Related publications
Parametrization of Halogen Bonds in the CHARMM General Force Field
Biophysical Journal
Biophysics
Improved Modeling of Halogenated Ligand-Protein Interactions Using the Drude Polarizable Force Field and Additive CHARMM36/CHARMM General Force Field (CGenFF)
Biophysical Journal
Biophysics
Improved CHARMM Additive Force Field Parameters to Accurately Model Tyrosine-Choline Cation-Π Interactions
Biophysical Journal
Biophysics
Development of the Charmm Drude Polarizable Force Field for the Study of Ion Interactions in Biological Systems
Biophysical Journal
Biophysics
Systematic Parameterization of Lignin for the Charmm Force Field
Biophysical Journal
Biophysics
Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges
Journal of Chemical Information and Modeling
Computer Science Applications
Chemistry
Chemical Engineering
Library
Information Sciences
Improved Charmm Force Field for Polyunsaturated Fatty Acid Chains, a Study on DAPC Membranes
Biophysical Journal
Biophysics
Halogen Bonds Involved in Binding of Halogenated Ligands by Protein Kinases
Acta Biochimica Polonica
Biochemistry
Genetics
Molecular Biology
Examining the Stability of Β-Sheets Using the Charmm Drude Polarizable Force Field
Biophysical Journal
Biophysics
