High-throughput molecular dynamics: the powerful new tool for drug discovery.

By M. Harvey, G. de Fabritiis. 2012

97 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Molecular Biology, Spectroscopy, Computational Chemistry & Drug Discovery

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Stefano Moro
2. Glaucius Oliva
3. Adriano Defini Andricopulo
4. L. Ferreira
5. Veronica Salmaso
6. Ricardo N Dos Santos

In Molecular Biology

1. Glaucius Oliva
2. L. Ferreira
3. Ricardo N Dos Santos
4. Stefano Moro
5. Adriano Defini Andricopulo
6. Veronica Salmaso
7. Luca Pinzi
8. Giulio Rastelli

In Spectroscopy

1. Glaucius Oliva
2. Adriano Defini Andricopulo
3. L. Ferreira
4. Ricardo N Dos Santos

In Computational Chemistry & Drug Discovery

1. L. Ferreira
2. Glaucius Oliva
3. Ricardo N Dos Santos
4. Adriano Defini Andricopulo
5. Stefano Moro
6. Veronica Salmaso
7. Giulio Rastelli
8. Luca Pinzi

Citations in the corpus

• Molecular Docking and Structure-Based Drug Design Strategies (2015, background): “Also, when no suitable crystallographic structures for a particular molecular target are available ( i.e. , structures with inaccessible or poorly defined binding sites), MD can be applied to generate a set of docking convenient structures [100].”
• Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview (2018, background): “In fact, nowadays, simulations of hundreds of nanoseconds are easily performed, and reaching the microsecond timescale is an affordable issue on a GPU-equipped workstation (Harvey and De Fabritiis, 2012).”