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Research article

First published 2005-07

A Novel Ensemble-Based Scoring and Search Algorithm for Protein Redesign and Its Application to Modify the Substrate Specificity of the Gramicidin Synthetase A Phenylalanine Adenylation Enzyme

Ryan H. Lilien, Brian W. Stevens, Amy C. Anderson [...]

Journal of Computational Biology

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Research article

First published 2007-12

Hybrid-genetic algorithms for flexible ligand docking

Ashish Ghosh, Anindya Sen

Journal of Intelligent & Fuzzy Systems: Applications in Engineering and Technology

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Research article

First published 2016-07

EDGA: A Population Evolution Direction-Guided Genetic Algorithm for Protein–Ligand Docking

Boxin Guan, Changsheng Zhang, Jiaxu Ning

Journal of Computational Biology

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Research article

First published 2011-06

Exploring the Landscape of Protein-Ligand Interaction Energy Using Probabilistic Approach

Marcin Pacholczyk, Marek Kimmel

Journal of Computational Biology

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Research article

First published 2016-10

Pharmacophore Models Derived from Molecular Dynamics Simulations of Protein-Ligand Complexes: A Case Study

Marcus Wieder, Ugo Perricone, Thomas Seidel [...]

Natural Product Communications

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Research article

First published 2015-09

Conformational Sampling Reveals Amino Acids with a Steric Influence on Specificity

Ziyi Guo, Brian Yuan Chen

Journal of Computational Biology

Open access

Research article

First published 2015

Applying Side-chain Flexibility in Motifs for Protein Docking

Hui Liu, Feng Lin, Jian-Li Yang [...]

Genomics Insights

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Research article

First published

Protein Conformational Flexibility Analysis with Noisy Data

Anshul Nigham, David Hsu

Journal of Computational Biology

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Other

First published 2002-12

Molecular basis of non-self recognition by the horseshoe crab lectins

Shun-ichiro Kawabata, Ryoko Tsuda

Innate Immunity

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Research article

First published 2003-06

Understanding Protein Flexibility through Dimensionality Reduction

Miguel L. Teodoro, George N. Phillips, Lydia E. Kavraki

Journal of Computational Biology

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