Authors : Llorach Parés, Laura; University/Department: Universitat de Barcelona. Departament de Biologia Evolutiva, Ecologia i Ciències Ambientals; ...

Subjects: Bioinformàtica; Bioinformática; Bioinformatics

Source: TDX (Tesis Doctorals en Xarxa)

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Dissertation/ Thesis

Deep learning for drug design : modeling molecular shapes

Authors : Skalic, Miha; University/Department: Universitat Pompeu Fabra. Departament de Ciències Experimentals i de la Salut; ...

Subjects: Deep learning; Drug desing; Generative models

Source: TDX (Tesis Doctorals en Xarxa)

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Dissertation/ Thesis

Development of vectorial descriptors to characterize small molecules and protein druggable pockets

Authors : Comajuncosa Creus, Arnau;

Subjects: Quimioinformàtica; Cheminformatics; Quimioinformática

Source: TDX (Tesis Doctorals en Xarxa)

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Dissertation/ Thesis

Identification of natural products as antidiabetic agents using computer-aided drug design methods

Authors : Guasch Pàmies, Laura; University/Department: Universitat Rovira i Virgili. Departament de Bioquímica i Biotecnologia; ...

Subjects: antidiabetics; PPARgamma; DPP-IV

Source: TDX (Tesis Doctorals en Xarxa)

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Dissertation/ Thesis

Computational approaches for the characterization of the Dipeptidyl Peptidase IV inhibition: Applications to drug discovery, drug design and binding site similarity

Authors : Ojeda Montes, María José; University/Department: Universitat Rovira i Virgili. Departament de Bioquímica i Biotecnologia; ...

Subjects: Dipeptidil peptidasa IV; Cribratge virtual; Receptor adrenèrgic beta 2

Source: TDX (Tesis Doctorals en Xarxa)

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Dissertation/ Thesis

Modular approaches and applications in reinforcement learning development and validation of next-generation frameworks

Authors : Bou Hernández, Albert; University/Department: Universitat Pompeu Fabra. Departament de Tecnologies de la Informació i les Comunicacions; ...

Subjects: Deep reinforcement learning; Decision-making algorithms; Python libraries

Source: TDX (Tesis Doctorals en Xarxa)

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Dissertation/ Thesis

Equivariant graph neural networks in drug discover: from property prediction to molecule generation

Authors : Cremer, Julian; University/Department: Universitat Pompeu Fabra. Departament de Medicina i Ciències de la Vida; ...

Subjects: Equivariant graph neural networks; Drug discovery; Generative chemistry

Source: TDX (Tesis Doctorals en Xarxa)

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Dissertation/ Thesis

Algorithmic and Technical Improvements for Next Generation Drug Design Software Tools

Authors : Gil Sepúlveda, Victor Alejandro; University/Department: Universitat de Barcelona. Facultat de Farmàcia; ...

Subjects: Estructura molecular; Molecular structure; Proteïnes

Source: TDX (Tesis Doctorals en Xarxa)

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نتائج البحث

فلترة النتائج

Implications of Structural Stability for Drug Design

Structure-based drug design of novel antiviral compounds against human herpesvirus and coronavirus

Computer-Aided Drug Design applied to marine drug discovery = Disseny de fàrmacs assistit per ordinador aplicat a la cerca de possibles fàrmacs marins

Deep learning for drug design : modeling molecular shapes

Development of vectorial descriptors to characterize small molecules and protein druggable pockets

Identification of natural products as antidiabetic agents using computer-aided drug design methods

Computational approaches for the characterization of the Dipeptidyl Peptidase IV inhibition: Applications to drug discovery, drug design and binding site similarity

Modular approaches and applications in reinforcement learning development and validation of next-generation frameworks

Equivariant graph neural networks in drug discover: from property prediction to molecule generation

Algorithmic and Technical Improvements for Next Generation Drug Design Software Tools

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