pWe are seeking an experienced and highly motivated bComputational Chemist /b to support and drive small‑molecule drug discovery programs. The successful candidate will combine strong CADD expertise, structural biology knowledge, and practical experience with AI/ML-enabled molecular design to identify and optimize high-quality chemical starting points. The role requires a solid foundation in computational chemistry and CADD, together with the ability to integrate structural, chemical and biological data into actionable hypotheses and compound‑design strategies.The successful candidate will join our group of Hit and Lead Discovery Group based in Torre Annunziata – Naples. /p h3Key Responsibilities /h3 ul liSupport bhit identification, hit-to-lead and lead optimization /b activities across different drug discovery programs. /li liDesign and apply bstructure-based and ligand-based drug design strategies /b to support compound identification and optimization. /li liPlan and execute bvirtual screening and compound prioritization /b activities, using appropriate approaches such as molecular docking, similarity searching, pharmacophore modelling and QSAR modeling. /li liAnalyze and integrate bchemical, structural and biological data /b to interpret structure-activity relationships and guide compound design and prioritization. /li liApply appropriate computational methods, including bmolecular modelling and molecular dynamics /b, to address project-specific scientific questions. /li liDevelop and implement breproducible computational workflows /b for data processing, analysis and visualization. /li liWork closely with medicinal chemists, biologists and other project team members to support data-driven decision‑making. /li liClearly communicate computational results,



recommendations and project updates to internal teams and, when appropriate, external partners and clients. /li /ul h3Qualifications Skills /h3 ul liPh.D. in bComputational Chemistry, Chemistry, Structural Biology, Biophysics, Bioinformatics /b, or a closely related discipline. /li libAt least 2‑3 years of relevant experience /b in computational chemistry applied to drug discovery, preferably in an industrial, biotech, pharmaceutical or CRO environment. /li liGood knowledge and practical experience in bstructure-based and ligand‑based drug design /b, virtual screening, molecular docking and SAR interpretation; in binding‑site analysis, FEP calculations, similarity search, pharmacophore modeling, and QSAR models. /li liExperience working with bprotein structures and protein‑ligand complexes /b, including experimental or predicted structural models. /li liHands‑on experience with one or more commonly used molecular modelling platforms and tools, such as preferably the bSchrödinger suite and REINVENT. /b /li liAbility to work with chemical and biological datasets and to develop or use reproducible computational workflows. /li liAbility to implement scalable algorithms and computational workflows for the analysis of large‑scale molecular datasets, including clustering, similarity analysis, dimensionality reduction and chemical space exploration. /li liFamiliarity with bPython,



R or other programming/scripting languages /b used for scientific data analysis. /li liAbility to work effectively in a bmultidisciplinary drug discovery environment /b. /li liFluent English, written and spoken, with good scientific communication skills. /li /ul h3Nice to Have /h3 pExperience in one or more of the following areas would be considered an advantage: /p ul libAI/ML approaches applied to molecular design and drug discovery /b, including generative approaches, property prediction or compound prioritization. /li liAdvanced computational methods such as bfree‑energy calculations, MM‑GBSA, FEP, QM calculations or enhanced sampling /b. /li libADMET and physicochemical property prediction /b. /li liFragment‑based drug discovery, covalent inhibitors or targeted protein degradation. /li liExperience with bKNIME, ChemAxon, CDD Vault and Dotmatics. /b /li liHands‑on experience with MOE, OpenEye, GROMACS, and AMBER or equivalent. /li liPrevious exposure to bclient‑facing projects, CRO environments or integrated drug discovery programs /b. /li liScientific publications, patents or presentations demonstrating contributions to computational drug discovery. /li /ul h3Personal Attributes /h3 ul liStrong scientific curiosity and problem‑solving skills. /li liA rigorous and data‑driven approach. /li liThe ability to work collaboratively in multidisciplinary teams. /li liGood interpersonal and communication skills. /li liEnthusiasm for applying and expanding computational approaches to real drug discovery challenges. /li /ul h3Axxam is an equal opportunity employer /h3 pAxxam offers a stimulating work environment and a competitive salary. /p pbAxxam S.p.A. /b /p #J-18808-Ljbffr

📌 Chimico computazionale (Torre Annunziata)
🏢 Axxam
📍 Torre Annunziata