소장자료

Virtual Screening: An Alternative or Complement to High Throughput Screening? Proceedings of the Workshop ?쁍ew Approaches in Drug Design and Discovery?? special topic ?쁖irtual Screening?? Schlo棺 Rauischholzhausen, Germany, March 15??8, 1999 [electronic resource] :

  • Klebe, Gerhard. editor.
  • 2002
Virtual Screening: An Alternative or Complement to High Throughput Screening? Proceedings of the Workshop ?쁍ew Approaches in Drug Design and Discovery?? special topic ?쁖irtual Screening?? Schlo棺 Rauischholzhausen, Germany, March 15??8, 1999 [electronic resource] :
  • 자료유형
    단행본
  • 서명/저자사항
    Virtual Screening: An Alternative or Complement to High Throughput Screening?[electronic resource] :Proceedings of the Workshop ?쁍ew Approaches in Drug Design and Discovery?? special topic ?쁖irtual Screening?? Schlo棺 Rauischholzhausen, Germany, March 15??8, 1999 / edited by Gerhard Klebe.
  • 개인저자
    Klebe, Gerhard., editor.
  • 단체저자
    SpringerLink (Online service)
  • 형태사항
    XI, 295 p. 53 illus., 18 illus. in color. : online resource.
  • 내용주기
    Combination of molecular similarity measures using data fusion -- Optimization of the drug-likeness of chemical libraries -- Generating consistent sets of thermodynamic and structural data for analysis of protein-ligand interactions -- Multiple molecular superpositioning as an effective tool for virtual database screening -- A recursive algorithm for efficient combinatorial library docking -- Modifications of the scoring function in FlexX for virtual screening applications -- A knowledge-based scoring function for protein-ligand interactions: Probing the reference state -- Predicting binding modes, binding affinities and ?쁥ot spots??for protein-ligand complexes using a knowledge-based scoring function -- Hydrophobicity maps and docking of molecular fragments with solvation -- Virtual screening with solvation and ligand-induced complementarity -- Similarity versus docking in 3D virtual screening -- Discovering high-affinity ligands from the computationally predicted structures and affinities of small molecules bound to a target: A virtual screening approach -- In vitro and in silico affinity fingerprints: Finding similarities beyond structural classes -- Computer-assisted synthesis and reaction planning in combinatorial chemistry -- Evaluation of reactant-based and product-based approaches to the design of combinatorial libraries.
  • 일반주제명
    Pharmacy.
    Chemoinformatics.
    Pharmacy.
    Pharmacy.
    Computer Applications in Chemistry.
  • 기본자료 저록
    Springer eBooks
  • 기타형태 저록
    Printed edition: 9780792366331
  • ISBN
    9780306468834
  • 언어
    영어