소장자료

Computational Drug Discovery and Design [electronic resource]

  • Gore, Mohini. editor. , Jagtap, Umesh B. editor.
  • 2018
Computational Drug Discovery and Design [electronic resource]
  • 자료유형
    단행본
  • 서명/저자사항
    Computational Drug Discovery and Design[electronic resource] / edited by Mohini Gore, Umesh B. Jagtap.
  • 개인저자
    Gore, Mohini., editor., Jagtap, Umesh B., editor.
  • 단체저자
    SpringerLink (Online service)
  • 형태사항
    XII, 488 p. 162 illus., 108 illus. in color. : online resource.
  • 총서명
    Methods in Molecular Biology,1064-3745 ; 1762
  • 내용주기
    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:혻 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.
  • 일반주제명
    Medicine.
    Pharmacology.
    Biomedicine.
    Pharmacology/Toxicology.
  • 기본자료 저록
    Springer eBooks
  • 기타형태 저록
    Printed edition: 9781493977550
  • ISBN
    9781493977567
  • 언어
    영어