Thomas Gaillard

Computational Theory and Mathematics · 2018

A researcher in the Science corpus: 1 paper; trusts 7 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

Whom Thomas Gaillard trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

  1. Renxiao Wang
  2. Yan Li
  3. Zhihai Liu
  4. W. L. Jorgensen
  5. Irwin D. Kuntz
  6. Yu-chian Chen
  7. Arthur J. Olson

Papers from Thomas Gaillard's perspective

Ordered by how strongly the researchers Thomas Gaillard trusts endorse each paper. Same corpus, a different order for every researcher.

  1. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
  2. Comparing protein–ligand docking programs is difficult
  3. Development and validation of a genetic algorithm for flexible docking.
  4. DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
  5. ChEMBL: a large-scale bioactivity database for drug discovery
  6. Molecular recognition and docking algorithms.
  7. Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.
  8. A semiempirical free energy force field with charge‐based desolvation (Journal of Computational Chemistry)
  9. The PDBbind database: methodologies and updates.
  10. Automated docking to multiple target structures: Incorporation of protein mobility and structural water heterogeneity in AutoDock (Proteins: Structure, Function, and Bioinformatics)

Their papers