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Predicting peptides structure with solvation potential and rotamer library dependent of the backbone
(Elsevier B.V., 2008-05-15)
In this work, genetic algorithms concepts along with a rotamer library dependent of backbone and implicit solvation potential are used to study the tertiary structure of peptides. We starting from known primary sequence ...
Predicting peptides structure with solvation potential and rotamer library dependent of the backbone
(Elsevier B.V., 2008-05-15)
In this work, genetic algorithms concepts along with a rotamer library dependent of backbone and implicit solvation potential are used to study the tertiary structure of peptides. We starting from known primary sequence ...
Exhaustive rotamer search of the 4C1 conformation of α- and β-D-galactopyranose
(Elsevier, 2017-05)
An exhaustive search approach was used to establish all possible rotamers of α- and β-D-galactopyranose using DFT at the B3LYP/6-311+G** and M06-2X/6-311+G** levels, both in vacuum calculations, and including two variants ...
Classification of RNA backbone conformations into rotamers using 13C' chemical shifts: Exploring how far we can go
(PeerJ Inc., 2019-10)
The conformational space of the ribose-phosphate backbone is very complex as it is defined in terms of six torsional angles. To help delimit the RNA backbone conformational preferences, 46 rotamers have been defined in ...
Theoretical study of dopamine. Application of the HSAB principle to the study of drug-receptor interactions
(Elsevier, 2000)
We present a theoretical conformational study of neutral and N- protonated form of dopamine in which we relate its pharmacological activity to the chemical hardness. We have found that the neutral form presents small ...
Plan de mejoramiento para el área de logística a nivel local de la compañía RotamAgrochemical Colombia S.A.S.
(Universidad EANEspecialización en Gerencia LogísticaFacultad de Ingeniería, 2013-08-10)
El trabajo pretende diseñar un plan de mejoramiento en el área logística que agregue valor, aumente la eficiencia y mejore los procesos de almacenamiento y distribución, gestión de inventarios y control de los productos ...
Use of genetic algorithms and solvation potential to study peptides structure
(Elsevier B.V., 2008-02-01)
In this work, genetic algorithms concepts along with a rotamer library for proteins side chains and implicit solvation potential are used to optimize the tertiary structure of peptides. We starting from the known PDB ...
Use of genetic algorithms and solvation potential to study peptides structure
(Elsevier B.V., 2008-02-01)
In this work, genetic algorithms concepts along with a rotamer library for proteins side chains and implicit solvation potential are used to optimize the tertiary structure of peptides. We starting from the known PDB ...
Use of genetic algorithms and solvation potential to study peptides structure
(Elsevier B.V., 2014)