QRB discovery

Keyphrases

Publications

volume 5, 2024

Ajith Harish
Protein structures unravel the signatures and patterns of deep time evolution. QRB discovery 5 (2024)
Rory M Crean, Marina Corbella, Ana Rita Calixto, Alvan C Hengge, Shina Caroline Lynn Kamerlin
Sequence - dynamics - function relationships in protein tyrosine phosphatases. QRB discovery 5 (2024)
Emily Pan, Fei Tao, Eva Smorodina, Shuguang Zhang
Structural bioinformatics studies of six human ABC transporters and their AlphaFold2-predicted water-soluble QTY variants. QRB discovery 5 (2024)
Robert Clark, Kahlan E Newman, Syma Khalid
Titratable residues that drive RND efflux: Insights from molecular simulations. QRB discovery 5 (2024)
Ajith Harish
Protein structures unravel the signatures and patterns of deep time evolution. QRB discovery 5 (2024)
Emily Pan, Fei Tao, Eva Smorodina, Shuguang Zhang
Structural bioinformatics studies of six human ABC transporters and their AlphaFold2-predicted water-soluble QTY variants. QRB discovery 5 (2024)
Bengt Nordén
Editorial. QRB discovery 5 (2024)
Rory M Crean, Marina Corbella, Ana Rita Calixto, Alvan C Hengge, Shina Caroline Lynn Kamerlin
Sequence - dynamics - function relationships in protein tyrosine phosphatases. QRB discovery 5 (2024)
Robert Clark, Kahlan E Newman, Syma Khalid
Titratable residues that drive RND efflux: Insights from molecular simulations. QRB discovery 5 (2024)
Ajith Harish
Protein structures unravel the signatures and patterns of deep time evolution. QRB discovery 5 (2024)

volume 4, 2023

volume 4, 2022

Carlos J Ramírez-Palacios, Siewert-Jan Marrink
Computational prediction of ω-transaminase selectivity by deep learning analysis of molecular dynamics trajectories. QRB discovery 4 (2022)

volume 3, 2022

Lisbeth R Kjølbye, Gilberto P Pereira, Alessio Bartocci, Martina Pannuzzo, Simone Albani, Alessandro Marchetto, Brian Jiménez-García, Juliette Martin, Sybille Krauß, Marco Cecchini, Sangwook Wu, Luca Monticelli, Paulo Cesar Telles de Souza
Towards design of drugs and delivery systems with the Martini coarse-grained model. QRB discovery 3 (2022)
Yuanzhe Zhou, Shi-Jie Chen
Graph deep learning locates magnesium ions in RNA. QRB discovery 3 (2022)
Sm Bargeen Alam Turzo, Eric R Hantz, Steffen Lindert
Applications of machine learning in computer-aided drug discovery. QRB discovery 3 (2022)
Eva Smorodina, Fei Tao, Rui Qing, David Jin, Steve Yang, Shuguang Zhang
Erratum: Comparing 2 crystal structures and 12 AlphaFold2-predicted human membrane glucose transporters and their water-soluble glutamine, threonine and tyrosine variants - CORRIGENDUM. QRB discovery 3 (2022)
Håkan Wennerström, Mikael Oliveberg
On the osmotic pressure of cells. QRB discovery 3 (2022)
Johanna Hörberg, Kévin Moreau, Anna Reymer
Homologous basic helix-loop-helix transcription factors induce distinct deformations of torsionally-stressed DNA: a potential transcription regulation mechanism. QRB discovery 3 (2022)
Jinan Wang, Apurba Bhattarai, Hung Nguyen Do, Yinglong Miao
Challenges and frontiers of computational modelling of biomolecular recognition. QRB discovery 3 (2022)
Katarzyna Makasewicz, Stefan Wennmalm, Sara Linse, Emma Sparr
α -Synuclein-induced deformation of small unilamellar vesicles. QRB discovery 3 (2022)
Jinan Wang, Apurba Bhattarai, Hung Nguyen Do, Yinglong Miao
Challenges and frontiers of computational modelling of biomolecular recognition. QRB discovery 3 (2022)
Murilo Nogueira Sanches, R Gonzalo Parra, Rafael Giordano Viegas, Antonio Bento Oliveira Junior, Peter G Wolynes, Diego U Ferreiro, Ingrid B S Martins
Resolving the fine structure in the energy landscapes of repeat proteins. QRB discovery 3 (2022)
Matthew Holcomb, Diogo Santos-Martins, Andreas F Tillack, Stefano Forli
Performance evaluation of flexible macrocycle docking in AutoDock. QRB discovery 3 (2022)
Ludovic Autin, Brett A Barbaro, Andrew I Jewett, Axel Ekman, Shruti Verma, Arthur J Olson, David S Goodsell
Integrative structural modelling and visualisation of a cellular organelle. QRB discovery 3 (2022)
Eva Smorodina, Fei Tao, Rui Qing, David Jin, Steve Yang, Shuguang Zhang
Comparing 2 crystal structures and 12 AlphaFold2-predicted human membrane glucose transporters and their water-soluble glutamine, threonine and tyrosine variants. QRB discovery 3 (2022)
Jinan Wang, Apurba Bhattarai, Hung Nguyen Do, Yinglong Miao
Challenges and frontiers of computational modelling of biomolecular recognition. QRB discovery 3 (2022)
Anne-Virginie Salsac
Inconsistent treatments of the kinetics of Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR) impair assessment of its diagnostic potential. QRB discovery 3 (2022)
Barry W Ninham, Brandon Reines, Matthew Battye
Pulmonary surfactant and COVID-19: A new synthesis. QRB discovery 3 (2022)
Krzysztof Kubiak, Frank Wien, Indresh Yadav, Nykola C Jones, Søren Vrønning Hoffmann, Eric Le Cam, Antoine Cossa, Frederic Geinguenaud, Johan R C van der Maarel, Grzegorz Węgrzyn, Veronique Arluison
Amyloid-like Hfq interaction with single-stranded DNA: involvement in recombination and replication in Escherichia coli . QRB discovery 3 (2022)
Mattia Bernetti, Riccardo Aguti, Stefano Bosio, Maurizio Recanatini, Matteo Masetti, Andrea Cavalli
Computational drug discovery under RNA times. QRB discovery 3 (2022)
Arup Mondal, Liwei Chang, Alberto Perez
Modelling peptide-protein complexes: docking, simulations and machine learning. QRB discovery 3 (2022)
Maytha Alshammari, Willy Wriggers, Jiangwen Sun, Jing He
Refinement of AlphaFold2 models against experimental and hybrid cryo-EM density maps. QRB discovery 3 (2022)
Johanna Hörberg, Björn Hallbäck, Kévin Moreau, Anna Reymer
Abnormal methylation in the NDUFA13 gene promoter of breast cancer cells breaks the cooperative DNA recognition by transcription factors. QRB discovery 3 (2022)
Konstantin Röder, Guillaume Stirnemann, Pietro Faccioli, Samuela Pasquali
Computer-aided comprehensive explorations of RNA structural polymorphism through complementary simulation methods. QRB discovery 3 (2022)
Pavel Janoš, Jana Aupič, Sharon Ruthstein, Alessandra Magistrato
The conformational plasticity of the selectivity filter methionines controls the in-cell Cu(I) uptake through the CTR1 transporter. QRB discovery 3 (2022)

volume 3, 2021

Amir Hossein Darooneh, Michelle Przedborski, Mohammad Kohandel
A novel statistical method predicts mutability of the genomic segments of the SARS-CoV-2 virus. QRB discovery 3 (2021)
Alex Evilevitch, Efthymios Tsimtsirakis
Reconstituted virus-nucleus system reveals mechanics of herpesvirus genome uncoating. QRB discovery 3 (2021)

volume 2, 2021