Molecular docking

This is an extension of the in silico docking that we have conducted where we have a list of lead compounds. Testing a lead compounds that will inhibit Kallikrein-2 (KLK 2) enzyme involved in prostate cancer. · *Molecular Dynamics conduct* Interpretation of the results of Molecul ...

We are building a next-generation, multi-kinase small-molecule discovery engine for oncology.This is a greenfield build. The goal is real, synthesis-ready molecules, not a demo or visualization tool. · Multi-kinase support (≥3 kinases in Phase 1) · Agentic / closed-loop molecular ...

We're seeking help in searching medicinal compounds from databases like PubChem, ZincDB, Drugbank, Chembel and few others. We want to make a large list of dataset based on these compounds. · Searching medicinal compounds from databases. · Creating datasets based on these compound ...

We are seeking support for a pre-synthesis DFT feasibility study. · ,Conformational analysis of protonated vs neutral states · ,DFT modeling of an intramolecular cyclization · ,Location of transition states and calculation of activation barriers (ΔG‡) · ,, ...

At Roche you can show up as yourself, embraced for the unique qualities you bring. Our culture encourages personal expression, open dialogue, and genuine connections where you are valued accepted and respected for who you are allowing you to thrive both personally professionally. ...

Variational AI is looking for a cheminformatician to help identify, clean and prepare datasets; develop ligand- and structure-based featurizations; apply traditional cheminformatics techniques; and evaluate new targets. · ...

At Roche you can show up as yourself, · embraced for the unique qualities you bring. · We are seeking a highly motivated summer intern to support the development of algorithms for enzyme optimization within Roche Diagnostics. · This is an ideal role for students who enjoy working ...

North Carolina Central University · Posted on Feb 26, 2026 · Apply now · Research Assistant Professor · Bookmark this Posting Print Preview | Apply for this Job · Please see Special Instructions for more details. · Final candidates are subject to criminal background checks, and e ...

An opportunity awaits you at NCCU, where your purpose can take flight. At North Carolina Central University (NCCU), we are more than an institution—we are a community rooted in a legacy of excellence and transformation. · ...