المؤلفون: Priscila Goes Camargo, Carine Ribeiro dos Santos, Magaly Girão Albuquerque, Carlos Rangel Rodrigues, Camilo Henrique da Silva Lima

المصدر: Scientific Reports, Vol 14, Iss 1, Pp 1-23 (2024)

مصطلحات موضوعية: 3D-QSAR, Molecular interaction fields, Molecular docking, Molecular dynamics, Antileishmanial, Neglected diseases, Medicine, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2045-2322

URL الوصول: https://doaj.org/article/978454de952c42ce9c0cc57dc144c2bb

المؤلفون: Camargo, Priscila Goes, dos Santos, Carine Ribeiro, Girão Albuquerque, Magaly, Rangel Rodrigues, Carlos^{Aff1, IDs41598024625202_cor4}, Lima, Camilo Henrique da Silva^{Aff2, IDs41598024625202_cor5}

المصدر: Scientific Reports. 14(1)

المؤلفون: Durán Alcaide, Ángel

المساهمون: University/Department: Universitat Pompeu Fabra. Departament de Ciències Experimentals i de la Salut

مرشدي الرسالة: Pastor Maeso, Manuel

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Diseño Factorial Fraccionado (FFD), Partial Least Squares (PLS), (PCA), Análisis de componentes principales, Sonda, Consistente, Interacciones relevantes, Velocidad, Interpretación, AMANDA, Correlation (CLACC), Cribado virtual Consistently Large Auto and Cross, Relación estructura actividad, GRIND-2, (GRIND), GRID Independent Descritpors, Descriptores moleculares (MD) Independientes de al, Campos de interacción molecular (MIF), Pentacle, Métodos computacionales, Qt, Lenguajes de programación, Interfaz de usuario, Software, Modelos software, Modelo espiral, Eficiencia, Altas prestaciones, Codificación, Discretización, Algoritmo, Based Virtual Screening (LBVS), Ligand, Drug Discovery, (CADD), Computer Assisted Drug Design, Prediction, (SDEP), Standard Deviation of Error, (FFD), Analysis (PCA), Principal Component, Probe, Consistent, Relevant Interactions, Speed, Interpretation, Screening (VS), Consistently Large Auto and Cross, Virtual, Relationship (QSAR), Quantitative Structure-Activity, GRID INdependent Descriptors (GRIND), GRID, Alignment independent, Molecular descriptors (MD), Molecular Interaction Fields (MIF), Computational Methods, Programming Languages, User Interface (UI), User-friendly, Software models, Spiral model, Efficiency, High-performance, Encoding, Discretizing, Algorithm, Desviación estándar del error de predicción (SDEP), Diseño de fármacos asistido porordenador (CADD), Descubrimiento de fármacos, Cribado virtual basado en ligando (LBVS)

وصف الملف: application/pdf

URL الوصول: http://www.tdx.cat/TDX-0422110-094351
http://hdl.handle.net/10803/7201

المؤلفون: Fontaine, Fabien

المساهمون: University/Department: Universitat Pompeu Fabra. Departament de Ciències Experimentals i de la Salut

مرشدي الرسالة: Pastor Maeso, Manuel

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: molecular shape, drugs design, molecules, computer simulation, diversity, QSAR (Biochemistry), simulación por ordenador, GRID, molecular interaction fields, QSAR (Bioquímica), VolSurf, diseño de medicamentos, moléculas, anchor-GRIND, GRIND, campos de interaccion moleculares, 3D-QSAR, forma molecular, diversidad, descriptotes moleculares, molecular descriptors

وصف الملف: application/pdf

URL الوصول: http://www.tdx.cat/TDX-0301105-092425
http://hdl.handle.net/10803/7080

المؤلفون: Nuno G. Alves, Ana I. Mata, João P. Luís, Rui M. M. Brito, Carlos J. V. Simões

المصدر: Frontiers in Chemistry, Vol 8 (2020)

مصطلحات موضوعية: drug resistance prediction, Molecular Interaction Fields, sequence-to-structure algorithm, binding-site dissimilarities, HIV-1 protease, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/article/10.3389/fchem.2020.00243/full; https://doaj.org/toc/2296-2646

URL الوصول: https://doaj.org/article/aad212a950484fa5b9b3b14567a1fe1e

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المؤلفون: Sara Fortuna, Marco Cespugli, Anamaria Todea, Alessandro Pellis, Lucia Gardossi

المصدر: Catalysts, Vol 11, Iss 7, p 784 (2021)

مصطلحات موضوعية: cutinases, molecular interaction fields descriptors, catalophore, serin hydrolases, Chemical technology, TP1-1185, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2073-4344/11/7/784; https://doaj.org/toc/2073-4344

URL الوصول: https://doaj.org/article/15bdd1c68af547acb290b19cf7f2ffc7

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المؤلفون: Matter, Hans^Aff1_20, Schmider, Wolfgang^Aff2_20

المساهمون: Vogel, H. Gerhard, editor^Aff1, Hock, Franz Jakob, editor^Aff2, Maas, Jochen, editor^Aff3, Mayer, Dieter, editor^Aff4

المصدر: Drug Discovery and Evaluation : Safety and Pharmacokinetic Assays. :409-436

Degree: Prof.
Dr.

المؤلفون: Tommaso Palomba, Giusy Tassone, Carmine Vacca, Matteo Bartalucci, Aurora Valeri, Cecilia Pozzi, Simon Cross, Lydia Siragusa, Jenny Desantis

المصدر: International Journal of Molecular Sciences; Volume 23; Issue 22; Pages: 14218

مصطلحات موضوعية: Proteasome Endopeptidase Complex, PROTAC, E3 ligase, scaffold-repurposing, BRD, TRIM33, TRIM24, targeted protein degradation, molecular interaction fields, Ubiquitin, Ubiquitin-Protein Ligases, Organic Chemistry, General Medicine, Ligands, Catalysis, Computer Science Applications, Inorganic Chemistry, Proteolysis, Physical and Theoretical Chemistry, Molecular Biology, Spectroscopy

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fdf0a35022a7828cff68c293adb085a3
https://hdl.handle.net/11391/1548017