Performance of the greedy approximation algorithm. by Virgile Andreani (17087764)

RosettaAMRLD: A Reaction-Driven Approach for Structure-Based Drug Design from Combinatorial Libraries with Monte Carlo Metropolis Algorithms by Yidan Tang (6623693)

“…By leveraging combinatorial ultralarge libraries, RosettaAMRLD ensures synthetic accessibility, optimizing protein–ligand interactions while efficiently sampling accessible chemical space. …”

Process of generating MS/MS spectra from a protein mixture using mass-spectrometry analysis. by Muhammad Usman Tariq (11022141)

Performance of the SPP. by Virgile Andreani (17087764)

Assessing binding site representation across dense arrays. by Virgile Andreani (17087764)

A generic proteomics flow. by Muhammad Usman Tariq (11022141)

Optimal 8-mer and 9-mer SARS-CoV-2 epitope identification. by Mariah Hassert (5746874)

“…Peptide sequences are named based on the protein they are contained within, followed by the number of the first amino acid residue of the peptide in the context of the full protein, to the last amino acid residue. potential optimal 8-mer or 9-mer CD8+ T cell epitopes were predicted. …”

Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential by Fengyang Han (14613218)

“…This information is useful to guide the construction of libraries for shape-based virtual screening and to improve the docking algorithm to efficiently sample bound conformations.…”

Distribution of Bound Conformations in Conformational Ensembles for X‑ray Ligands Predicted by the ANI-2X Machine Learning Potential by Fengyang Han (14613218)

“…This information is useful to guide the construction of libraries for shape-based virtual screening and to improve the docking algorithm to efficiently sample bound conformations.…”

DataSheet1_Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study.docx by Sergei Evteev (18294157)

“…</p><p>Methods: We developed Quantum-assisted Fragment-based Automated Structure Generator (QFASG), a fully automated algorithm designed to construct ligands for a target protein using a library of molecular fragments. …”

Image_13_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.JPEG by Niklas Wulms (11928755)

Image_2_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.JPEG by Niklas Wulms (11928755)

Image_1_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.JPEG by Niklas Wulms (11928755)

Image_6_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.JPEG by Niklas Wulms (11928755)

Image_10_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.JPEG by Niklas Wulms (11928755)

Data_Sheet_1_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.pdf by Niklas Wulms (11928755)

Image_12_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.JPEG by Niklas Wulms (11928755)

Image_3_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.JPEG by Niklas Wulms (11928755)

Data_Sheet_1_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.zip by Niklas Wulms (11928755)

Image_4_The Effect of Training Sample Size on the Prediction of White Matter Hyperintensity Volume in a Healthy Population Using BIANCA.JPEG by Niklas Wulms (11928755)