- Argonne National Laboratory (Lemont, IL)
- …achieve optical control over ultrafast spin conversion and charge transfer dynamics . This position focuses on advancing fundamental understanding of light-matter ... relevance to energy conversion. The research involves exploring the excited-state dynamics and mechanisms of photoinduced charge transfer and spin state conversion… more
- Harvard University (Cambridge, MA)
- …supporting X-ray crystallography and cryo-electron tomography (CryoET). * Familiarity with molecular dynamics simulations and macromolecular docking tools is ... - Research Associate in SBGrid, Department of Biological Chemistry and Molecular Pharmacology School Harvard Medical School Department/Area Position Description We… more
- Argonne National Laboratory (Lemont, IL)
- …expect to work on enhancing the performance and scalability of large-scale molecular dynamics simulations (eg LAMMPS) using machine-learned potentials (eg MACE) ... and Teamwork Desired skills, knowledge and abilities: + Experience with large-scale molecular dynamics (MD) simulations using software, such as LAMMPS, and… more
- University of Texas Rio Grande Valley (Brownsville, TX)
- … structures and predicting conformations or interactions using quantum chemistry and molecular dynamics as well as employing specialized software and methods ... will contribute to the Master's programs in the SIBCS (Chemistry, Biochemistry & Molecular Biology, Biology) and to a forthcoming Ph.D. program in Integrative Life… more
- New York University (New York, NY)
- …to perform interdisciplinary work on studying RNA structure, RNA-protein interactions, and dynamics , with a molecular glue focus. Successful applicants will be ... binding assays iii) Experience with studying and screening of PROTACs and/or molecular glue degraders iv) Experience with cellular biology The candidate will also… more
- Roche (Santa Clara, CA)
- …performing protein analytics, support enzyme engineering through computational predictions and molecular dynamics simulations, and contribute to the organization ... protein computational tools: Protein large language models (ESM, ProteinMPNN, AlphaFold), Molecular dynamics simulation packages (GROMACS) + Experience with… more
- Genentech (South San Francisco, CA)
- …molecule therapeutic development **Preferred Qualifications:** + Hands-on experience in molecular dynamics simulations, particularly with antibodies and/or ... understanding the developability properties of therapeutic molecules and providing molecular -level insights. By supporting research and development teams, we enable… more
- Genentech (South San Francisco, CA)
- …+ Familiarity with pose generation methods, both classical and data-driven (eg, docking, molecular dynamics , AlphaFold3, etc.) + Experience with one or more ... protein-ligand binding affinity models, to small-molecule drug discovery tasks, including molecular design. Our team fosters a collaborative approach that stimulates… more
- Mount Sinai Health System (New York, NY)
- …Kim, 212-6598651, ###@mssm.edu **Qualifications** Technical Duties: (include any protocols) Molecular dynamics simulations, Machine Learning, Algorithm Design, ... their therapeutic modulation. Key responsibilities will include: (a) Performing enhanced molecular dynamics simulations to investigate GPCR structure, … more
- Mount Sinai Health System (New York, NY)
- …and protein-ligand complexes. + Contribute to structure-assisted drug design. + Perform molecular dynamics simulations and QM/MM calculations. + Publish research ... , you will contribute to the investigation of the structure and dynamics of disease-related proteins using single-particle cryo-EM, X-ray diffraction, and … more