4 Crystallography Jobs

Overview: Molecule AI, an innovative AI-based drug discovery company, seeks a Computational Scientist skilled in molecular modelling, molecular dynamics (MD) simulations, and machine learning for drug discovery. This role involves developing and evaluating computational methods for molecular property prediction, utilising molecular modelling for drug discovery, and working with AI models for de novo drug design. Relevant areas of experience include the direct application of MD to drug discovery, computer-aided drug design, molecular modelling and medicinal chemistry. Specific knowledge of any of these areas is less critical, and higher weightage will be placed on solid research skills and a history of innovation and accomplishment. Qualifications: Ph.D./M.Sc. from a reputed institution or university in a related field with a focus on drug discovery. Post-doctoral experience is desirable but not mandatory. Expertise in molecular modelling, MD simulations, and free energy calculations. Proficient in Python. Strong problem-solving and communication skills. Key Responsibilities: Computational Chemist in Drug Discovery 1. Molecular Modeling & Drug Design Conduct molecular docking (AutoDock, Unidock) to predict binding modes of small molecules. Perform virtual screening of compound libraries to identify potential hits. Use molecular dynamics (MD) simulations (GROMACS, AMBER, etc) to study protein-ligand interactions. Perform structure-based drug design (SBDD) and ligand-based drug design (LBDD). Predict ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) properties using machine learning algorithms & AI-based approaches. 2. Cheminformatics & Data Analysis Analyze structure-activity relationships (SAR) to guide medicinal chemistry efforts. Apply machine learning (ML) & AI-based approaches for predictive modeling (QSAR, deep learning). Work with large chemical databases (ChEMBL, PubChem, ZINC) to extract relevant data. Develop pharmacophore models to identify key molecular features for activity. 3. Protein Modeling & Bioinformatics Perform homology modeling for proteins with unknown structures. Predict protein-ligand & protein-protein interactions. Analyze protein dynamics & conformational changes relevant to drug binding. 4. Collaboration with Experimental Teams Work closely with medicinal chemists to optimize lead compounds. Support biologists & pharmacologists in interpreting biochemical assay data. Validate computational predictions with experimental results (X-ray crystallography, NMR, biochemical assays). 5. Software & Tools Development Develop custom scripts (Python, & others) for data analysis & automation. Use quantum mechanics/molecular mechanics (QM/MM) for detailed electronic structure analysis. Stay updated with emerging computational tools (AlphaFold, DeepChem, DiffDock). 6. Documentation & Reporting Prepare technical reports & presentations for stakeholders. Maintain detailed records of computational experiments. Contribute to scientific publications and patent applications. The right candidate will have 2-5 years of industrial work experience and strong coding ability. **Interested candidates can send their CVs to info@moleculeai.com or priyanka.balodi@moleculeai.net to apply for this position.

Job Title: Head of R&D – API Location: Hyderabad, Telangana Department: R&D Reports To: Managing Director Experience Required: 15+ years Education: Ph.D. or M.Sc. in Organic Chemistry Key Responsibilities • Lead and manage R&D activities in API process development , scale-up , and tech transfer to manufacturing. • Drive route scouting , cost-effective synthesis , and process optimization for new and existing APIs. • Spearhead polymorph screening and development for novel and robust API forms. • Oversee patent strategy , including identification, drafting, and filing of process and polymorph patents . • Ensure comprehensive documentation for regulatory filings (DMFs, CMCs) and IP protection . • Collaborate closely with manufacturing, quality, regulatory, and business development teams. • Represent R&D during client meetings, audits, and regulatory inspections. • Cultivate a high-performing, innovation-driven R&D team. Qualifications • Strong expertise in process chemistry , polymorph characterization , and patent filings . • Track record in DMF submissions and regulatory compliance . • Knowledge of crystallography, solid-state chemistry, and intellectual property law is preferred. Strong leadership, project management, and communication skills. Show more Show less

💼 We're Hiring: Application Support Executive – Sales & Technical (0–2 Years Experience) 📍 Location: Mumbai/Pune 🗺️ Coverage: Western & Central India 🧳 Travel: Frequent (field travel for meetings, demos, discussions) About the Role We are seeking a motivated and science-driven Application Support Executive to join our team. This is a dual-role position that combines technical application expertise with strategic sales responsibilities . This is not just a support role—it is designed for someone who thrives in both technical problem-solving and customer-facing engagement , with a strong interest in driving commercial success. Key Responsibilities Engage with prospective and existing customers to understand their needs and propose tailored solutions Contributing to business growth by conducting product demonstrations, technical presentations, and application discussions with a focus on specialized diagnostics & high-end life science instrumentation Support sales activities from lead generation to deal closure, ensuring alignment with target goals Develop and maintain strong relationships with key academic, research, and clinical stakeholders in the region Stay updated on emerging trends and technologies, especially in Protein Crystallography and Cryo-Electron Microscopy (CryoEM) Collaborate with internal teams to address customer feedback and ensure post-sale satisfaction Represent the company at trade shows, seminars, and scientific conferences What We’re Looking For 0–2 years of experience in a scientific/technical sales or application-focused role Strong academic background in Life Sciences, Molecular Diagnostics, Biophysics, Structural Biology, Biotechnology, or related fields Knowledge of Protein Crystallography and/or CryoEM is a plus Excellent communication and interpersonal skills with a solution-driven mindset Willingness to travel across Western and Central India for field visits Freshers with relevant project or internship experience are encouraged to apply Why Join Us? Be at the forefront of cutting-edge scientific advancements Combine your love for science with real-world business impact Work in a supportive, growth-focused environment Opportunity to engage with leading researchers, institutions, and labs 📩 Ready to Apply? Send your resume to careers@biogenuix.com . Let’s explore how you can be a part of our mission to advance science and diagnostics in India. Show more Show less

Position: Project Assistant Number of Openings: 1 Tenure: Initially for 1 year, extendable to another year based on satisfactory performance. Location: Mahindra University, Hyderabad, India Department: Centre for Life Sciences Salary: Rs. 27,000/ month Project Funding: Prime Minister Early Career Research Grant, ANRF, Ministry of Science and Technology, Govt. of India Position Overview The Project assistant will be involved in carrying out wet lab experiments for the recombinant production of nanobodies (single-domain antibodies) and their protein engineering, biochemical (ELISA, SPR) and cell culture assays and also be involved in the determination of protein structures using X-ray crystallography. Qualifications Essential qualifications: Bachelor’s degree in science/ 3 years diploma in Engineering and Technology Preferred qualifications: Master’s degree in any of the following areas: Preferably in Biochemistry, Biotechnology, Immunology, Animal sciences but can also be in any other branch of life sciences. Students who will be successfully completing their Master’s degree by this academic year 2024-25 are also encouraged to apply. What You Will Gain: You will have the opportunity to: Publish research papers and/or file patentsTranslational research of industrial importanceRegister in PhD programme at Mahindra University How To Apply Interested candidates are invited to email their single pdf of detailed CV (with 1-2 referees information) to balaji.narayanan@mahindrauniversity.edu.in and cc to bhaskar.paidimuddala@mahindrauniversity.edu.in Please use your email subject line “ANRF PA Application – CLS”. Selection Process The screened applicants solely based on merit will only be called for an interview (online). For More Information For inquiries related to the position and the project, please directly contact: Dr. Bhaskar Paidimuddala: bhaskar.paidimuddala@mahindrauniversity.edu.in For Institute and Application-related Information, please reach out to Mr. Anil Kadali (anil.kadali@mahindrauniversity.edu.in). Join us in advancing the field of protein engineering and making a meaningful impact. We eagerly await the addition of passionate and dedicated individuals to our vibrant research team at Centre for Life Sciences, Mahindra University.