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Efficient multi-fidelity computation of blood coagulation under flow

Manuel Guerrero-Hurtado, Manuel Garcia-Villalba, Alejandro Gonzalo, Pablo Martinez-Legazpi, Andrew M. Kahn, Elliot McVeigh, Javier Bermejo, Juan C. del Alamo, Oscar Flores

Research Article | published 27 Oct 2023 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1011583

Views: 1603Citations: 6Saves: 0 • Shares: 0

Integrative modeling of diverse protein-peptide systems using CABS-dock

Wojciech Puławski, Andrzej Koliński, Michał Koliński

Research Article | published 05 Jul 2023 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1011275

Views: 1727Citations: 5Saves: 0 • Shares: 0

Varying molecular interactions explain aspects of crowder-dependent enzyme function of a viral protease

Natalia Ostrowska, Michael Feig, Joanna Trylska

Research Article | published 25 Apr 2023 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1011054

Views: 1483Citations: 6Saves: 11 • Shares: 1

Multienzyme deep learning models improve peptide de novo sequencing by mass spectrometry proteomics

Carlos Gueto-Tettay, Di Tang, Lotta Happonen, Moritz Heusel, Hamed Khakzad, Johan Malmström, Lars Malmström

Research Article | published 20 Jan 2023 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1010457

Views: 2554Citations: 7Saves: 18 • Shares: 3

Amino acid variants of SARS-CoV-2 papain-like protease have impact on drug binding

Agata P. Perlinska, Adam Stasiulewicz, Mai Lan Nguyen, Karolina Swiderska, Mikolaj Zmudzinski, Alicja W. Maksymiuk, Marcin Drag, Joanna I. Sulkowska

Research Article | published 21 Nov 2022 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1010667

Views: 2387Citations: 9Saves: 11 • Shares: 2

Multiscale modelling of desquamation in the interfollicular epidermis

Claire Miller, Edmund Crampin, James M. Osborne

Research Article | published 29 Aug 2022 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1010368

Views: 2120Citations: 5Saves: 12 • Shares: 8

Cheater suppression and stochastic clearance through quorum sensing

Alexander S. Moffett, Peter J. Thomas, Michael Hinczewski, Andrew W. Eckford

Research Article | published 28 Jul 2022 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1010292

Views: 2952Citations: 1Saves: 6 • Shares: 15

A topological data analytic approach for discovering biophysical signatures in protein dynamics

Wai Shing Tang, Gabriel Monteiro da Silva, Henry Kirveslahti, Erin Skeens, Bibo Feng, Timothy Sudijono, Kevin K. Yang, Sayan Mukherjee, Brenda Rubenstein, Lorin Crawford

Research Article | published 02 May 2022 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1010045

Views: 3796Citations: 14Saves: 22 • Shares: 12

Modeling the temporal dynamics of master regulators and CtrA proteolysis in Caulobacter crescentus cell cycle

Chunrui Xu, Henry Hollis, Michelle Dai, Xiangyu Yao, Layne T. Watson, Yang Cao, Minghan Chen

Research Article | published 28 Jan 2022 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1009847

Views: 1993Citations: 3Saves: 8 • Shares: 2

Comparing mutational pathways to lopinavir resistance in HIV-1 subtypes B versus C

Susana Posada-Céspedes, Gert Van Zyl, Hesam Montazeri, Jack Kuipers, Soo-Yon Rhee, Roger Kouyos, Huldrych F. Günthard, Niko Beerenwinkel

Research Article | published 07 Sep 2021 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1008363

Views: 1642Citations: 7Saves: 17 • Shares: 4

Quantitative profiling of protease specificity

Boris I. Ratnikov, Piotr Cieplak, Albert G. Remacle, Elise Nguyen, Jeffrey W. Smith

Research Article | published 22 Feb 2021 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1008101

Views: 3221Citations: 9Saves: 0 • Shares: 0

Modeling invasion patterns in the glioblastoma battlefield

Martina Conte, Sergio Casas-Tintò, Juan Soler

Research Article | published 29 Jan 2021 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1008632

Views: 2636Citations: 17Saves: 31 • Shares: 8

DEER-PREdict: Software for efficient calculation of spin-labeling EPR and NMR data from conformational ensembles

Giulio Tesei, João M. Martins, Micha B. A. Kunze, Yong Wang, Ramon Crehuet, Kresten Lindorff-Larsen

Research Article | published 22 Jan 2021 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1008551

Views: 4424Citations: 56Saves: 57 • Shares: 15

Targeting TMPRSS2 and Cathepsin B/L together may be synergistic against SARS-CoV-2 infection

Pranesh Padmanabhan, Rajat Desikan, Narendra M. Dixit

Research Article | published 08 Dec 2020 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1008461

Views: 7020Citations: 134Saves: 181 • Shares: 25

Real-time structural motif searching in proteins using an inverted index strategy

Sebastian Bittrich, Stephen K. Burley, Alexander S. Rose

Research Article | published 07 Dec 2020 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1008502

Views: 4396Citations: 22Saves: 23 • Shares: 5

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