Jeffry D. Madura

Computational Chemistry & Drug Discovery · 1983–2015

A researcher in the Science corpus: 4 papers; trusts 16 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

Whom Jeffry D. Madura trusts overall

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

  1. Philip J. Hajduk
  2. David Weininger
  3. I. Khanna
  4. K. Nicolaou
  5. Jürgen Bajorath
  6. Jacob D. Durrant
  7. Susan M. Boyd

Who trusts Jeffry D. Madura overall

  1. K. Lindorff‐Larsen
  2. Sunhwan Jo
  3. Justin A. Lemkul
  4. Alexander Schug
  5. Paul Robustelli
  6. Yue Yang
  7. Jianwei Wang
  8. Eric F Darve
  9. Stefano Piana

Papers from Jeffry D. Madura's perspective

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

  1. Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery (Journal of chemical information and computer sciences)
  2. ZINC - A Free Database of Commercially Available Compounds for Virtual Screening
  3. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings.
  4. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.
  5. Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.
  6. Computer-based de novo design of drug-like molecules
  7. Development and validation of a genetic algorithm for flexible docking.
  8. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
  9. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
  10. Integration of virtual and high-throughput screening

Their papers