ArticleIBM journal of research and development
The Pharmit Backend: A Computer Systems Approach to Enabling Interactive Online Drug Discovery.
Article in IBM journal of research and development. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Identification of natural FGFR3 inhibitor for glioma using integrated computational and microRNA regulatory analysis.Scientific reports · 2026Article
- AI fragmentation-based optimization of Sorafenib derivatives targeting VEGFR2 for angiogenesis-related pathologies: a structure-based in-silico study.Scientific reports · 2026Article
- 3D CNN-CVAE and LSTM-guided de novo design of rotigotine derivatives targeting dopamine D1 and D3 receptors in restless legs syndrome.PloS one · 2026Article
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- Computational screening of natural inhibitors against Plasmodium falciparum kinases: Toward novel antimalarial therapies.PloS one · 2026Article
- Computational identification of natural CXCR4-binding candidates relevant to endometriosis and ovarian cancer progression.PloS one · 2026Article
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- AI-assisted identification of innovative phytochemicals from Aizoon canariense aimed at brachyury protein in chordoma: a computational strategy.Scientific reports · 2025Article
- Identification of Potential Pteridin Reductase-1 Inhibitors for the Treatment of Leishmaniasis: A Bioinformatics Approach.Pharmaceuticals (Basel, Switzerland) · 2025Article
- In silico investigation of ketamine and methylphenidate drug-drug conjugate for MDD and ADHD treatment using MD simulations and MMGBSA.Scientific reports · 2025Article
- Evaluation of silvestrol as a potential therapeutic agent for pediatric COVID-19: an interpreted computational and phytochemistry approach.Frontiers in pharmacology · 2025Article
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- Multi-method computational evaluation of the inhibitors against leucine-rich repeat kinase 2 G2019S mutant for Parkinson's disease.Molecular diversity · 2024Article
- Natural AI-based drug designing by modification of ascorbic acid and curcumin to combat buprofezin toxicity by using molecular dynamics study.Scientific reports · 2024Article
- Quantum Computing in the Next-Generation Computational Biology Landscape: From Protein Folding to Molecular Dynamics.Molecular biotechnology · 2024Review
- The natural breakthrough: phytochemicals as potent therapeutic agents against spinocerebellar ataxia type 3.Scientific reports · 2024Article
- Proposition ofCombinatorial chemistry & high throughput screening · 2024Review
Corrections and comments
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Authors and funding
1 author.
Funding
Abstract
Pharmit (http://pharmit.csb.pitt.edu) is an open-source online resource that allows users to interactively search libraries of millions compounds as part of a structure-based drug discovery workflow. Here we describe the systems-level implementation decisions made in designing Pharmit that, when combined with novel sub-linear time search algorithms, allow it to screen millions of molecules in seconds. The key concepts are to maximize parallelism while minimizing intra-thread communication, optimize data layout for sequential processing, and efficiently manage memory allocation. We describe how these concepts are applied to the cheminformatic data inherent to Pharmit and discuss limitations and possible future directions.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.