Titlebook: Virtual Screening: An Alternative or Complement to High Throughput Screening?; Proceedings of the W Gerhard Klebe Conference proceedings 20

ACORN

書目名稱Virtual Screening: An Alternative or Complement to High Throughput Screening?影響因子(影響力)




書目名稱Virtual Screening: An Alternative or Complement to High Throughput Screening?影響因子(影響力)學(xué)科排名




書目名稱Virtual Screening: An Alternative or Complement to High Throughput Screening?網(wǎng)絡(luò)公開度




書目名稱Virtual Screening: An Alternative or Complement to High Throughput Screening?網(wǎng)絡(luò)公開度學(xué)科排名




書目名稱Virtual Screening: An Alternative or Complement to High Throughput Screening?被引頻次




書目名稱Virtual Screening: An Alternative or Complement to High Throughput Screening?被引頻次學(xué)科排名




書目名稱Virtual Screening: An Alternative or Complement to High Throughput Screening?年度引用




書目名稱Virtual Screening: An Alternative or Complement to High Throughput Screening?年度引用學(xué)科排名




書目名稱Virtual Screening: An Alternative or Complement to High Throughput Screening?讀者反饋




書目名稱Virtual Screening: An Alternative or Complement to High Throughput Screening?讀者反饋學(xué)科排名

整體

expound

Generating consistent sets of thermodynamic and structural data for analysis of protein-ligand inteputational chemistry. Understanding the energetics of protein-ligand interactions would not only provide powerful tools for prediction in structure-assisted ligand and library design, but also enrich our appreciation of the subtleties of structure that underlie molecular recognition in biological sy

強壯

dilute

Germinate

與野獸博斗者

NEX

abolish

Virtual screening with solvation and ligand-induced complementarity,site of a target protein. Its main feature is the modeling of induced complementarity by making adjustments in the protein side chains and ligand upon binding. Mean-field theory is used to balance the conformational changes in both molecules in order to generate a shape-complementary inter-face. Sol

TAG

Similarity versus docking in 3D virtual screening,similarity methods to a level of performance comparable to the well established protein-ligand docking methods for binding mode assessment and molecular database screening. However, the strengths and intrinsic limitations of both methodologies have been also stressed out extensively. As the number o