4.4 Article

Yada: a novel tool for molecular docking calculations

Related references

Note: Only part of the references are listed.
Proceedings Paper Computer Science, Artificial Intelligence

A New Flexible Protocol for Docking Studies

Lucia Sessa et al.

ADVANCES IN ARTIFICIAL LIFE, EVOLUTIONARY COMPUTATION AND SYSTEMS CHEMISTRY (2016)

Proceedings Paper Computer Science, Artificial Intelligence

Novel Algorithm for Efficient Distribution of Molecular Docking Calculations

Luigi Di Biasi et al.

ADVANCES IN ARTIFICIAL LIFE, EVOLUTIONARY COMPUTATION AND SYSTEMS CHEMISTRY (2016)

Article Computer Science, Software Engineering

High-throughput virtual molecular docking with AutoDockCloud

Sally R. Ellingson et al.

CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE (2014)

Article Materials Science, Multidisciplinary

Zn-complex based on oxadiazole/carbazole structure: Synthesis, optical and electric properties

Simona Concilio et al.

THIN SOLID FILMS (2014)

Article Mathematical & Computational Biology

GRIMD: distributed computing for chemists and biologists

Stefano Piotto et al.

BIOINFORMATION (2014)

Article Multidisciplinary Sciences

2-Hydroxy Arachidonic Acid: A New Non-Steroidal Anti-Inflammatory Drug

Daniel H. Lopez et al.

PLOS ONE (2013)

Article Chemistry, Medicinal

Molecular Docking with Ligand Attached Water Molecules

Mette A. Lie et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)

Article Chemistry, Medicinal

DSX: A Knowledge-Based Scoring Function for the Assessment of Protein-Ligand Complexes

Gerd Neudert et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)

Article Chemistry, Medicinal

Statistical Potential for Modeling and Ranking of Protein-Ligand Interactions

Hao Fan et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)

Article Chemistry, Multidisciplinary

Role of Bridging Water Molecules in GSK3β-Inhibitor Complexes: Insights from QM/MM, MD, and Molecular Docking Studies

Shao-Yong Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

Article Biochemical Research Methods

Detection of gene pathways with predictive power for breast cancer prognosis

Shuangge Ma et al.

BMC BIOINFORMATICS (2010)

Article Biochemistry & Molecular Biology

Docking flexible ligands in proteins with a solvent exposure- and distance-dependent dielectric function

Daniel P. Garden et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2010)

Article Chemistry, Medicinal

Explicit Treatment of Water Molecules in Protein-Ligand Docking

Oscar Villacanas et al.

CURRENT COMPUTER-AIDED DRUG DESIGN (2009)

Article Chemistry, Medicinal

Data Management System for Distributed Virtual Screening

Ting Zhou et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)

Article Biochemistry & Molecular Biology

WHISCY: What information does surface conservation yield? Application to data-driven docking

SJ de Vries et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)