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2023

Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures

Journal of Chemical Information and Modeling

A. M. Díaz-Rovira, H. Martín, T. Beuming, L. Díaz, V. Guallar, and S. S. Ray
AsiteDesign: a Semirational Algorithm for an Automated Enzyme DesignAsiteDesign: a Semirational Algorithm for an Automated Enzyme Design

The Journal of Physical Chemistry B

S. Roda, H. Terholsen, J. Ruth Heike Meyer, A. Cañellas-Solé, V. Guallar, U. Bornscheuer, and M. Kazemi
A phenotype driven integrative framework uncovers molecular mechanisms of a rare hereditary thrombophilia

PLOS ONE

N. Malod-Dognin, G. Ceddia, M. Gvozdenov, B. Tomić, S. Dunjić Manevski, V. Djordjević, and N. Pržulj
The little skate genome and the evolutionary emergence of wing-like fins

Nature

F. Marlétaz, E. de la Calle-Mustienes, R. D. Acemel, C. Paliou, S. Naranjo, P. Manuel Martínez-García, I. Cases, V. A. Sleight, C. Hirschberger, M. Marcet-Houben, D. Navon, A. Andrescavage, K. Skvortsova, P. Edward Duckett, Á. González-Rajal, O. Bogdanovic, J. H. Gibcus, L. Yang, L. Gallardo-Fuentes, I. Sospedra, J. Lopez-Rios, F. Darbellay, A. Visel, J. Dekker, N. Shubin, T. Gabaldón, T. Nakamura, J. J. Tena, D. G. Lupiáñez, D. S. Rokhsar, and J. Luis Gómez-Skarmeta
Phylogenomics of the Olea europaea complex using 15 whole genomes supports recurrent genetic admixture together with differentiation into seven subspecies

BMC Biology

I. Julca, P. Vargas, and T. Gabaldón
Scalable multi-chip quantum architectures enabled by cryogenic hybrid wireless/quantum-coherent network-in-package

2023 IEEE International Symposium on Circuits and Systems (ISCAS)

E. Alarcón, S. Abadal, F. Sebastiano, M. Babaie, E. Charbon, P. Haring Bolívar, M. Palesi, E. Blokhina, D. Leipold, B. Staszewski, A. Garcia-Sáez, and C. G. Almudever
Nuclear shell-model simulation in digital quantum computers

Scientific Reports

A.. Pérez-Obiol, A.. M. Romero, J.. Menéndez, A.. Rios, A.. Garcia-Saez, and B.. Juliá-Díaz
Multidimensional Fourier series with quantum circuits

Physical Review A

B. Casas, and A. Cervera-Lierta
Infrastructure for synthetic health data

BioHackrXiv

N. QueraltRosinach, B. Alshaikhdeeb, L. Bolzani, M. Shoaib, M. Casado Barbero, S. Aguiló-Castillo, D. Cirillo, L. Jael Castro, G. Tsueng, M. Kalaš, M. Palmblad, D. Welter, S. Ghosh, V. Pardhasara Satagopam, and R. S. Malik Sheriff
HPCG on long-vector architectures: Evaluation and optimization on NEC SX-Aurora and RISC-V

Future Generation Computer Systems

C. Gomez, F. Mantovani, E. Focht, and M. Casas

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