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03098nam a22003015i 4500 |
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20200929153119.0 |
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180328s2018 xxu| s |||| 0|eng d |
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|a 9781493977567
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024 |
7 |
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|a 10.1007/978-1-4939-7756-7
|2 doi
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|a Sistema de Bibliotecas del Tecnológico de Costa Rica
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245 |
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|a Computational Drug Discovery and Design /
|c edited by Mohini Gore, Umesh B. Jagtap.
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250 |
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|a 1st ed. 2018.
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260 |
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|a New York, NY :
|b Springer New York :
|b Imprint: Humana,
|c 2018.
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300 |
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|a XII, 488 p. 162 illus., 108 illus. in color. :
|b online resource.
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336 |
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|a text
|b txt
|2 rdacontent
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|a computer
|b c
|2 rdamedia
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|a online resource
|b cr
|2 rdacarrier
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|a Methods in Molecular Biology,
|v 1762
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|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.
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650 |
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|a Pharmacology.
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650 |
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4 |
|a Pharmacology/Toxicology.
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700 |
1 |
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|a Gore, Mohini.
|e editor.
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700 |
1 |
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|a Jagtap, Umesh B.
|e editor.
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710 |
2 |
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|a SpringerLink (Online service)
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773 |
0 |
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|t Springer eBooks
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900 |
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|a Libro descargado a ALEPH en bloque (proveniente de proveedor)
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