Boston University · EngineeringMolecular Interaction and Prediction Lab
Sandor Vajda · Boston, Massachusetts
Research Focus
Dr. Sandor Vajda's lab at Boston University specializes in the analysis and prediction of molecular interactions, particularly focusing on proteins. The team works on methodologies that combine machine learning with physics-based techniques to improve the accuracy of predicting how proteins and ligands interact. They have achieved notable success in established competitions by enhancing traditional docking methods to better address the challenges posed by limited data.
protein-protein interactionsprotein-ligand interactionsmachine learningmolecular modelingCASP competitionsdocking methodsphysics-based samplingbioinformatics
Research Aims
5AIM 01Develop methods to predict protein-protein interactions with high accuracy.
AIM 02Integrate machine learning with physics-based sampling techniques.
AIM 03Improve prediction methodologies for protein-ligand interactions.
AIM 04Conduct research to refine docking protocols for better computational efficiency.
AIM 05Update existing servers for protein docking to enhance user access and efficacy.
Skills the Lab Values
machine learningmolecular dockingsequence alignmentcomputer programmingdata analysisprotein structure predictioncomputational modelinghigh throughput screening
Output against the department
Publications325top 25% of dept.70th of 278
this lab
most publishedleast published
Citations24ktop 15% of dept.41st of 278
this lab
most citedleast cited
Career totals from OpenAlex, compared against labs that share a department. A department spans everything from one paper to tens of thousands, so bar heights are on a log scale — otherwise the largest lab would flatten every other bar to a line.