Chimico computazionale

Vedi l’offerta su Go Lavoro: golavoro.it/annuncio-lavoro/8p9aek

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 hit identification, hit-to-lead and lead optimization activities across different drug discovery programs. /li liDesign and apply structure-based and ligand-based drug design strategies to support compound identification and optimization. /li liPlan and execute virtual screening and compound prioritization activities, using appropriate approaches such as molecular docking, similarity searching, pharmacophore modelling and QSAR modeling. /li liAnalyze and integrate chemical, structural and biological data to interpret structure-activity relationships and guide compound design and prioritization. /li liApply appropriate computational methods, including molecular modelling and molecular dynamics, to address project-specific scientific questions. /li liDevelop and implement reproducible computational workflows 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 Computational Chemistry, Chemistry, Structural Biology, Biophysics, Bioinformatics, or a closely related discipline. /li liAt least 2-3 years of relevant experience in computational chemistry applied to drug discovery, preferably in an industrial, biotech, pharmaceutical or CRO environment. /li liGood knowledge and practical experience in structure-based and ligand-based drug design, virtual screening, molecular docking and SAR interpretation; in binding-site analysis, FEP calculations, similarity search, pharmacophore modeling, and QSAR models /li liExperience working with protein structures and protein-ligand complexes, 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 Schrödinger suite and REINVENT. /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 Python, R or other programming/scripting languages used for scientific data analysis. /li liAbility to work effectively in a multidisciplinary drug discovery environment. /li liFluent English, written and spoken, with good scientific communication skills. /li /ul h3Nice to Have /h3 ul liAI/ML approaches applied to molecular design and drug discovery, including generative approaches, property prediction or compound prioritization. /li liAdvanced computational methods such as free-energy calculations, MM-GBSA, FEP, QM calculations or enhanced sampling. /li liADMET and physicochemical property prediction. /li liFragment-based drug discovery, covalent inhibitors or targeted protein degradation. /li liExperience with KNIME, ChemAxon, CDD Vault and Dotmatics. /li liHands‑on experience with MOE, OpenEye, GROMACS, and AMBER or equivalent. /li liPrevious exposure to client-facing projects, CRO environments or integrated drug discovery programs. /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 pAxxam S.p.A. /p pOpenzone - via Meucci 3 - 20091 Bresso (Milano, Italy) /p pFax – /p #J-18808-Ljbffr

Vedi l’offerta su Go Lavoro: golavoro.it/annuncio-lavoro/8p9aek