Computational Drug Discovery and Design /

Detalles Bibliográficos
Autor Corporativo: SpringerLink (Online service)
Otros Autores: Gore, Mohini. (Editor ), Jagtap, Umesh B. (Editor )
Formato: eBook
Lenguaje:English
Publicado: New York, NY : Springer New York : Imprint: Humana, 2018.
Edición:1st ed. 2018.
Colección:Methods in Molecular Biology, 1762
Materias:
LEADER 03098nam a22003015i 4500
001 000283743
005 20200929153119.0
007 cr nn 008mamaa
008 180328s2018 xxu| s |||| 0|eng d
020 |a 9781493977567 
024 7 |a 10.1007/978-1-4939-7756-7  |2 doi 
040 |a Sistema de Bibliotecas del Tecnológico de Costa Rica 
245 1 0 |a Computational Drug Discovery and Design /  |c edited by Mohini Gore, Umesh B. Jagtap. 
250 |a 1st ed. 2018. 
260 # # |a New York, NY :  |b Springer New York :  |b Imprint: Humana,  |c 2018. 
300 |a XII, 488 p. 162 illus., 108 illus. in color. :  |b online resource. 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
490 1 |a Methods in Molecular Biology,  |v 1762 
505 0 |a Computer-Aided Drug Design – An Overview -- Prediction of Human Drug Targets and their Interactions Using Machine Learning Methods: Current and Future Perspectives -- Practices in Molecular Docking and Structure-based Virtual Screening -- Phylogenetic and Conservation Based Approaches to Predict Protein Functional Sites -- De novo design of Ligands using Computational Methods -- Molecular Dynamics Simulation and the Prediction of Druggable Binding Sites -- Virtual Ligand Screening using PL-PatchSurfer2, a Molecular Surface-based Protein-ligand Docking Method -- Fragment Based Ligand Designing -- Molecular Dynamics as a Tool for Virtual Ligand Screening -- Building Molecular Interaction Networks from Microarray Data for Drug Target Screening -- Absolute Alchemical Free Energy Calculations for Ligand Binding -- Evaluation of Protein-ligand Docking by Cyscore -- Molecular Dynamics Simulations of Protein-drug Complexes:  A Computational Protocol for Investigating the Interactions of Small-Molecule Therapeutics with Biological Targets and Biosensors -- Prediction and Optimization of Pharmacokinetic and Toxicity Properties of the Ligand -- Protein-protein Docking in Drug Design and Discovery -- Automated Inference of Chemical Discriminants of Biological Activity -- Computational Exploration of Conformational Transitions in Protein Drug Targets -- Applications of the NRGsuite and the Molecular Docking Software FlexAID in Computational Drug Discovery and Design -- Calculation of Thermodynamic Properties of Bound Water Molecules -- Enhanced Molecular Dynamics Methods Applied to Drug Design Projects -- AGGRESCAN3D: Towards the Prediction of the Aggregation Propensities of Protein Structures -- Computational Analysis of Solvent Inclusion in Docking Studies of Protein-glycosaminoglycan Systems -- Understanding G Protein-Coupled Receptor Allostery via Molecular Dynamics Simulations: Implications for Drug Discovery -- Identification of Potential Microrna Biomarkers by Meta-analysis. 
650 0 |a Pharmacology. 
650 1 4 |a Pharmacology/Toxicology. 
700 1 |a Gore, Mohini.  |e editor. 
700 1 |a Jagtap, Umesh B.  |e editor. 
710 2 |a SpringerLink (Online service) 
773 0 |t Springer eBooks 
900 |a Libro descargado a ALEPH en bloque (proveniente de proveedor)