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Research article

First published 2016-05

Probing RNA Native Conformational Ensembles with Structural Constraints

Rasmus Fonseca, Henry van den Bedem, Julie Bernauer

Journal of Computational Biology

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Research article

First published 2002-8

Rapid Generation of a Representative Ensemble of N-Glycan Conformations

Martin Frank, Andreas Bohne-Lang, Thomas Wetter [...]

In Silico Biology

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Research article

First published 2019-06

Redox- and Ligand Binding-Dependent Conformational Ensembles in the Human Apoptosis-Inducing Factor Regulate Its Pro-Life and Cell Death Functions

Raquel Villanueva, Silvia Romero-Tamayo, Ruben Laplaza [...]

Antioxidants & Redox Signaling

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Review article

First published 2018-6-12

Tau Conformation as a Target for Disease-Modifying Therapy: The Role of Truncation

Petr Novak, Ondrej Cehlar, Rostislav Skrabana [...]

Journal of Alzheimer’s Disease

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Research article

First published 2005-12

HOPE: A Homotopy Optimization Method for Protein Structure Prediction

Daniel M. Dunlavy, Dianne P. O'leary, Dmitri Klimov [...]

Journal of Computational Biology

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Research article

First published 2016-05

Constructing Structure Ensembles of Intrinsically Disordered Proteins from Chemical Shift Data

Huichao Gong, Sai Zhang, Jiangdian Wang [...]

Journal of Computational Biology

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Research article

First published 2003-06

Stochastic Roadmap Simulation: An Efficient Representation and Algorithm for Analyzing Molecular Motion

Mehmet Serkan Apaydin, Douglas L. Brutlag, Carlos Guestrin [...]

Journal of Computational Biology

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Research article

First published 2016-06

BWM*: A Novel,Provable,Ensemble-based Dynamic Programming Algorithm for Sparse Approximations of Computational Protein Design

Jonathan D. Jou, Swati Jain, Ivelin S. Georgiev [...]

Journal of Computational Biology

Open access

Research article

First published 2024-3

Ab Initio Conformational Analysis of 3,7-Diacetyl-3,7-Diazabicyclo[3.3.1]Nonanes *

Sergey A. Pisarev, Elena A. Golubeva, Vladimir A. Palyulin

Natural Product Communications

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Research article

First published 2020-04

Minimization-Aware Recursive K*: A Novel,Provable Algorithm that Accelerates Ensemble-Based Protein Design and Provably Approximates the Energy Landscape

Jonathan D. Jou, Graham T. Holt, Anna U. Lowegard [...]

Journal of Computational Biology

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