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Prediction of Protein Configurational Entropy (Popcoen)

  • Published:2018-01-19 Issue:3 Volume:14 Page:1811-1819
  • ISSN:1549-9618
  • Container-title:Journal of Chemical Theory and Computation
  • language:en
  • Short-container-title:J. Chem. Theory Comput.

Author:

Goethe Martin1ORCID,Gleixner Jan2,Fita Ignacio3,Rubi J. Miguel

Affiliation:

1. Department of Condensed Matter Physics, University of Barcelona, Carrer Martí i Franqués 1, 08028 Barcelona, Spain

2. Faculty of Biosciences, Heidelberg University, Im Neuenheimer Feld 234, 69120 Heidelberg, Germany

3. Molecular Biology Institute of Barcelona (IBMB-CSIC, Maria de Maeztu Unit of Excellence), Carrer Baldiri Reixac 4-8, 08028 Barcelona, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Cited by 11 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Calculation of protein-ligand binding entropies using a rule-based molecular fingerprint;Biophysical Journal;2024-09

2. Calculating the Binding Entropy of Host-Guest Systems with Physics-Guided Neural Networks;2022 IEEE International Conference on Bioinformatics and Biomedicine (BIBM);2022-12-06

3. Toward Reliable and Insightful Entropy Calculations on Flexible Molecules;Journal of Chemical Theory and Computation;2022-11-25

4. Total free energy analysis of fully hydrated proteins;Proteins: Structure, Function, and Bioinformatics;2022-08-25

5. Entropies Derived from the Packing Geometries within a Single Protein Structure;ACS Omega;2022-06-09
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