- UTMB Health (Galveston, TX)
- …and genome organization and gene regulation using polymer/statistical-mechanics modeling, molecular dynamics , and machine learning integrated with genomic ... Assistant Professor, Biochemistry and Molecular Biology **Galveston, Texas, United States** **New** Faculty UTMB Health Requisition # 2504487 **JOB DESCRIPTION:**… 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
- Michigan State University (East Lansing, MI)
- …the Vermaas lab leverages computational methods such as atomistic or coarse-grained molecular dynamics simulations with both classical and machine-learned force ... fields to study key questions around these topics. By using and developing these molecular simulation tools, the Vermaas lab seeks to create a molecular -level… 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
- Battelle Memorial Institute (Columbus, OH)
- …+ Develop and apply molecular modeling and simulation techniques (eg, molecular dynamics , Monte Carlo, quantum mechanics/ molecular mechanics) to study ... nanoscience, and engineering to bridge the fields of life science and molecular electronics to work at the forefront of bioelectronics and microdevice innovation.… more
- MD Anderson Cancer Center (Houston, TX)
- … molecular modeling software (eg. MOE, Schrodinger, BioSolveIT, OpenEye) * Molecular dynamics simulation packages (eg. AMBER, GROMACS, Desmond) * ... drug discovery process, have experience working with modern commercial and open-source molecular modeling software platforms, and have used in silico techniques to… more
- Meta (Redmond, WA)
- …strengths, and limitations in modeling catalytic systems 9. Hands-on experience running molecular dynamics (MD) or Monte Carlo (MC) simulations to study ... approaches of first-principle simulations to understand the optical properties of molecular systems and inorganics. 4. Conduct independent research and explore the… more
- Takeda Pharmaceuticals (Boston, MA)
- …candidate selection * Extensive knowledge of computational chemistry tools, including docking, molecular dynamics , FEP, QSAR modeling, and generative AI * Strong ... closely with global chemistry, structural biology, DMPK, and safety experts for molecular design and help to define a roadmap for computational tools that… 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
- Argonne National Laboratory (Lemont, IL)
- …optics and wave propagation models with realistic sample simulations based on dislocation dynamics and molecular dynamics of relevant materials. Significant ... or x-ray microscopy methods. + Knowledge of crystallography. + Experience with molecular modeling of crystals, dislocation dynamics , and defect analysis, linking… more