Postdoctoral fellow or associate scientist in computational biophysics

Nobel laureate in Chemistry Jaroslav Heyrovský, is seeking a postdoctoral fellow or associate scientist in computational biophysics to join the Computational Biophysics group led by Dr. Štěpán Timr. Type of contract: Fixed-term employment until December 2027 Job status: Full-time preferred; part-time employment may be considered Starting date: Early 2027 (negotiable) Job description Our research focuses on understanding how molecular environments and spatial organization influence the dynamics, interactions, and biological function of enzymes. We combine molecular simulations, coarse-grained modeling, statistical mechanics, and reaction–diffusion approaches to investigate biological systems across different spatial and temporal scales. More information about our research is available at https://www.stepantimr.com/ . We are looking for a researcher with strong computational or theoretical expertise who enjoys tackling challenging scientific questions, critically interpreting results, and contributing independently to ongoing research projects. Previous experience specifically with enzymes is not required. The position offers an opportunity to make meaningful scientific contributions within an established research programme. Given its relatively short duration, we particularly welcome candidates who can build on their existing methodological expertise and become actively involved in research from an early stage. The successful candidate will primarily contribute to one of two ongoing research directions, depending on their expertise and scientific interests. 1. Protein conformational ensembles, allostery, and molecular crowding Understanding how molecular environments influence protein conformational ensembles and allosteric regulation. This research combines molecular simulations, statistical mechanics, and theoretical modeling to investigate how interactions with surrounding molecules affect protein dynamics and function. 2. Spatial organization of enzymes and biochemical reaction pathways Investigating how enzyme localization, molecular diffusion, and stochastic reaction kinetics influence biochemical pathways. This research combines reaction–diffusion simulations, theoretical modeling, and computational method development, including applications and extensions of our Spatialzyme framework. Specific research tasks will be defined in discussion with the successful candidate, taking into account their expertise and scientific interests, as well as the objectives of our ongoing projects. Responsibilities will include independently conducting computational research, analyzing and critically evaluating results, addressing methodological challenges, and contributing to scientific publications. Required qualifications A Ph.D. in biophysics, physics, computational chemistry, applied mathematics, computational biology, or a related field. Solid practical experience with at least one theoretical or computational approach relevant to the proposed research directions. Good programming and quantitative data analysis skills, including experience in independently conducting computational research. Ability to troubleshoot computational problems, critically evaluate scientific results, recognize model limitations, and propose meaningful next steps. Good communication skills in English and the ability to work both independently and collaboratively. Preferred skills Experience in one or more of the following areas would be an advantage: Molecular dynamics simulations and statistical mechanics of proteins. Protein conformational dynamics, allostery, or molecular crowding. Coarse-grained or multiscale modeling. Stochastic processes, chemical kinetics, or reaction–diffusion modeling. Development, application, or validation of computational models. Benefits A friendly and supportive research environment with access to computational resources. Opportunities to conduct original research, publish scientific results, and further develop scientific and methodological expertise. Five weeks of paid annual leave, five additional days off for personal reasons, and three days of paid sick leave. Flexible working hours, with the possibility of part-time employment or hybrid work by agreement. Proximity to childcare facilities on the Czech Academy of Sciences campus. Access to institutional benefits, including sports equipment rental, parking, and libraries. Czech and English language courses and opportunities for further education through institute-organized courses. Application Interested candidates should submit: A CV, including a list of publications. A brief motivation letter (maximum one page) describing their research background, specific contributions to previous computational or theoretical projects, and how their expertise could be applied to one or both of the proposed research directions. Contact details of two potential referees. Applications must be submitted via the following link: https://my.teamio.com/asmt/index.jsp?brand=teamio.com&reportId=flexi_1778075838211&advertId=e121be72-b646-4645-a01e-55704dd7c170&rps=202 Informal inquiries about the position and potential research projects are welcome at stepan.timr@heu.cas.cz .