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Papers matching “infrastructure siting” 4

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Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site
2025 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

David Alencar Araripe, Alejandro Díaz‐Holguín, Antti Poso, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutiérrez‐de‐Terán, +1 more

0

citations
Leapfrogging cancer diagnostics with AI: a mixed-methods assessment of implementation determinants in low- and middle-income countries
2026 medRxiv preprint Computer Science AI in cancer detection Open access

Lydia A. Schoenpflug, Nikki van den Berg, Serey Vathana Chhut, Elaine Y L Leung, Lai‐Meng Looi, Robert L. Lukande, +14 more

0

citations
QligFEP-2: an automated workflow for small molecule free energy calculations in Q
2025 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

David Alencar Araripe, Alejandro Díaz‐Holguín, Antti Poso, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutiérrez‐de‐Terán, +1 more

0

citations
QligFEP-2: an automated workflow for small molecule free energy calculations in Q
2025 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

David Alencar Araripe, Alejandro Díaz‐Holguín, Antti Poso, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutiérrez‐de‐Terán, +1 more

0

citations

4 results