PhD-level Scientist in Molecular Modeling, Drug Design and AI at BIOVIA Dassault Systemes/BIOVIA in United States

IQS, Universitat Ramon Llull in Barcelona, Spain is inviting applications for a PhD / predoctoral researcher position in computational enzyme design for glycoengineering . The project sits in the Biological Chemistry and Biotechnology Group and focuses on computational glycobiology , enzyme catalysis , protein-carbohydrate interactions , structural bioinformatics , molecular modeling , molecular dynamics , and artificial intelligence for designing improved or novel carbohydrate-active enzymes wi...

Microsoft Research is hiring a postdoc focused on very large-scale protein modeling , free energy calculation , and protein-ligand / protein-membrane interaction modeling . The role is aimed at developing the next generation of AI models for biomolecular dynamics and function . The work described includes designing, executing, and analyzing large-scale molecular dynamics (MD) simulations, including protein-ligand systems, membrane protein systems, and free energy perturbation (FEP) studies. This...

Aditya Nandy, Assistant Professor of Chemical and Biomolecular Engineering at the University of California, Los Angeles (UCLA), is recruiting up to 2 PhD students for the Molecular Modeling Laboratory starting Fall 2027. The group works on molecular modeling and computational research spanning physics-based and data-driven methods, including quantum chemistry, molecular dynamics, continuum modeling, and generative AI. Research interests include AI for chemistry, computational chemistry, multi-sc...

Postdoctoral Research Associate opportunity in Dr. Yanxiao Han’s Computational Biology Laboratory at the University of North Texas. The position is centered on computational biology, molecular biophysics, GPCR signaling, cardiovascular and hormone signaling pathways, and therapeutic design. The postdoctoral researcher will investigate G protein-coupled receptors using molecular dynamics simulations, enhanced sampling, kinetic modeling, structural analysis, and machine learning approaches. Resear...

Postdoctoral position at Loyola University Chicago , Department of Chemistry & Biochemistry, in Chicago, Illinois, USA. The project is in the Lab of Dr. Pengfei Li (Associate Professor) and focuses on EF-hand metalloprotein modeling , including classical force field development and machine learning force fields . The work is tied to AMBER MD software and the MCPB.py program development. Applicants should have a PhD in chemistry, physics, biology, or molecular biology . Prior experience with prot...