docking simulation fred Search Results


molecular dynamic simulations  (AUTODOCK GmbH)
90
AUTODOCK GmbH molecular dynamic simulations
Molecular Dynamic Simulations, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/molecular dynamic simulations/product/AUTODOCK GmbH
Average 90 stars, based on 1 article reviews
molecular dynamic simulations - by Bioz Stars, 2026-03
90/100 stars
  Buy from Supplier
induced-fit docking  (Molecular Dynamics Inc)
90
Molecular Dynamics Inc induced-fit docking
Induced Fit Docking, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/induced-fit docking/product/Molecular Dynamics Inc
Average 90 stars, based on 1 article reviews
induced-fit docking - by Bioz Stars, 2026-03
90/100 stars
  Buy from Supplier
dock v6.7  (AUTODOCK GmbH)
90
AUTODOCK GmbH dock v6.7
Search and Scoring Strategies used by Docking Programs
Dock V6.7, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/dock v6.7/product/AUTODOCK GmbH
Average 90 stars, based on 1 article reviews
dock v6.7 - by Bioz Stars, 2026-03
90/100 stars
  Buy from Supplier
binding free energy fmlh  (Glycomimetics inc)
90
Glycomimetics inc binding free energy fmlh
Search and Scoring Strategies used by Docking Programs
Binding Free Energy Fmlh, supplied by Glycomimetics inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/binding free energy fmlh/product/Glycomimetics inc
Average 90 stars, based on 1 article reviews
binding free energy fmlh - by Bioz Stars, 2026-03
90/100 stars
  Buy from Supplier

Image Search Results


Search and Scoring Strategies used by Docking Programs

Journal: Journal of chemical information and modeling

Article Title: Machine Learning Consensus Scoring Improves Performance Across Targets in Structure-Based Virtual Screening

doi: 10.1021/acs.jcim.7b00153

Figure Lengend Snippet: Search and Scoring Strategies used by Docking Programs

Article Snippet: The tools used in this work are all commonly available, even to academic groups, and are based on both different docking techniques and scoring function types. table ft1 table-wrap mode="anchored" t5 caption a7 docking program search algorithm scoring function AutoDock v4.2 Lamarkian genetic algorithm with simulated annealing force field DOCK v6.7 incremental construction (anchor-and- grow) force field FRED v3.0.1 exhaustive rigid docking search, discretized configuration space empirical HYBRID v3.0.1 exhaustive rigid docking search, discretized configuration space knowledge-based + empirical PLANTS v1.2 ant colony optimization empirical rDock v2013.1 genetic algorithm, Monte Carlo, minimization empirical Smina 1.1.2 iterated local search global optimzer knowledge-based Surflex-Dock v3.040 incremental construction with matching algorithm empirical Open in a separate window Search and Scoring Strategies used by Docking Programs To evaluate consensus scoring strategies, 21 targets were selected from the DUD-E benchmark data set, 23 each accompanied by sets of active and decoy compounds ( ).

Techniques: