A mechanism for epithelial-mesenchymal heterogeneity in a population of cancer cells von Tripathi, Shubham, Chakraborty, Priyanka, Levine, Herbert, Jolly, Mohit Kumar

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Structural dynamics of SARS-CoV-2 nucleocapsid protein induced by RNA binding von Ribeiro-Filho, Helder Veras, Jara, Gabriel Ernesto, Batista, Fernanda Aparecida Heleno, Schleder, Gabriel Ravanhani, Costa Tonoli, Celisa Caldana, Soprano, Adriana Santos, Guimarães, Samuel Leite, Borges, Antonio Carlos, Cassago, Alexandre, Bajgelman, Marcio Chaim, Marques, Rafael Elias, Trivella, Daniela Barretto Barbosa, Franchini, Kleber Gomes, Figueira, Ana Carolina Migliorini, Benedetti, Celso Eduardo, Lopes-de-Oliveira, Paulo Sergio

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Simulation atomic force microscopy for atomic reconstruction of biomolecular structures from resolution-limited experimental images von Amyot, Romain, Marchesi, Arin, Franz, Clemens M, Casuso, Ignacio, Flechsig, Holger

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Chromatin remodelers couple inchworm motion with twist-defect formation to slide nucleosomal DNA von Brandani, Giovanni B, Takada, Shoji

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An integrative approach to protein sequence design through multiobjective optimization von Hong, Lu, Kortemme, Tanja

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Search for the optimal method for obtaining estimations for an automated magnetotelluric signal processing system von Lavrukhin, A A, Lobov, K V, Tukanova, A S, Onufriev, A S

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Structural determination of Streptococcus pyogenes M1 protein interactions with human immunoglobulin G using integrative structural biology von Khakzad, Hamed, Happonen, Lotta, Karami, Yasaman, Chowdhury, Sounak, Bergdahl, Gizem Ertürk, Nilges, Michael, Tran Van Nhieu, Guy, Malmström, Johan, Malmström, Lars

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Rapid interpretation of small-angle X-ray scattering data von Weiel, Marie, Reinartz, Ines, Schug, Alexander

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Adaptive landscape flattening allows the design of both enzyme: Substrate binding and catalytic power von Opuu, Vaitea, Nigro, Giuliano, Gaillard, Thomas, Schmitt, Emmanuelle, Mechulam, Yves, Simonson, Thomas

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Aggregation of Aβ40/42 chains in the presence of cyclic neuropeptides investigated by molecular dynamics simulations von Wu, Min, Dorosh, Lyudmyla, Schmitt-Ulms, Gerold, Wille, Holger, Stepanova, Maria

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Indicators for the preliminary assessment of magnetotelluric data sufficiency von Lavrukhin, A A, Turkin, S N, Onufriev, A S, Lobov, K V

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H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations von Anandakrishnan, Ramu, Aguilar, Boris, Onufriev, Alexey V

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The nucleosome: from structure to function through physics von Onufriev, Alexey V, Schiessel, Helmut

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Accuracy limit of rigid 3-point water models von Izadi, Saeed, Onufriev, Alexey V.

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Building Water Models: A Different Approach von Izadi, Saeed, Anandakrishnan, Ramu, Onufriev, Alexey V

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Generalized Born Implicit Solvent Models for Biomolecules von Onufriev, Alexey V, Case, David A

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Water models for biomolecular simulations von Onufriev, Alexey V., Izadi, Saeed

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Speed of Conformational Change: Comparing Explicit and Implicit Solvent Molecular Dynamics Simulations von Anandakrishnan, Ramu, Drozdetski, Aleksander, Walker, Ross C., Onufriev, Alexey V.

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General Purpose Water Model Can Improve Atomistic Simulations of Intrinsically Disordered Proteins von Shabane, Parviz Seifpanahi, Izadi, Saeed, Onufriev, Alexey V

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Exploring optimization strategies for improving explicit water models: Rigid n-point model and polarizable model based on Drude oscillator von Xiong, Yeyue, Onufriev, Alexey V

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