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SANGWOOK WU

3 results in Authors: SANGWOOK WU

Theoretical and Computational Chemistry

Using Dynamic Interaction Fingerprints to Derive Baseline Machine Learning Model for the Prediction of Protein-Ligand Dissociation Rate Constant

Muhammad Jan Akhunzada, Hyun Jung Yoon, Abdennour Braka, Indrajit Deb, Sangwook Wu

Version 1 posted 08 March 2024

210

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Theoretical and Computational Chemistry

Bartender: Martini 3 Bonded Terms via Quantum Mechanics-based Molecular Dynamics

Gilberto P. Pereira, Riccardo Alessandri, Moisés Domínguez, Rocío Araya-Osorio, Linus Grünewald, Luís Borges-Araújo, Sangwook Wu, Siewert J. Marrink, Paulo Cesar Telles de Souza, Raul Mera-Adasme

Version 2 posted 07 June 2024

935

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Biological and Medicinal Chemistry

Martini 3 building blocks for Lipid Nanoparticle design

Lisbeth Ravnkilde Kjølbye, MARIANA VALÉRIO, MARKÉTA PALONCÝOVÁ, LUÍS BORGES-ARAÚJO, ROBERTO PESTANA-NOBLES, FABIAN GRÜNEWALD, BART M. H. BRUININKS, ROCÍO ARAYA-OSORIO, MARTIN ŠREJBER, RAUL MERA-ADASME, LUCA MONTICELL, SIEWERT J. MARRINK, MICHAL OTYEPKA, SANGWOOK WU, PAULO C.T. SOUZA

Version 1 posted 24 September 2024

382

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