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Assessment of the model refinement category in CASP12.
Proteins. 2018 Mar;86 Suppl 1(Suppl 1):152-167. doi: 10.1002/prot.25409. Epub 2017 Nov 29.
2
Protein structure model refinement in CASP12 using short and long molecular dynamics simulations in implicit solvent.
Proteins. 2018 Mar;86 Suppl 1(Suppl 1):189-201. doi: 10.1002/prot.25373. Epub 2017 Sep 1.
3
Assessment of contact predictions in CASP12: Co-evolution and deep learning coming of age.
Proteins. 2018 Mar;86 Suppl 1(Suppl Suppl 1):51-66. doi: 10.1002/prot.25407. Epub 2017 Nov 7.
4
Protein structure modeling and refinement by global optimization in CASP12.
Proteins. 2018 Mar;86 Suppl 1:122-135. doi: 10.1002/prot.25426. Epub 2017 Dec 5.
5
Target highlights from the first post-PSI CASP experiment (CASP12, May-August 2016).
Proteins. 2018 Mar;86 Suppl 1(Suppl 1):27-50. doi: 10.1002/prot.25392. Epub 2017 Oct 16.
6
Protein contact prediction by integrating deep multiple sequence alignments, coevolution and machine learning.
Proteins. 2018 Mar;86 Suppl 1(Suppl 1):84-96. doi: 10.1002/prot.25405. Epub 2017 Oct 31.
7
Template-based and free modeling of I-TASSER and QUARK pipelines using predicted contact maps in CASP12.
Proteins. 2018 Mar;86 Suppl 1(Suppl 1):136-151. doi: 10.1002/prot.25414. Epub 2017 Nov 14.
8
Assessment of hard target modeling in CASP12 reveals an emerging role of alignment-based contact prediction methods.
Proteins. 2018 Mar;86 Suppl 1:97-112. doi: 10.1002/prot.25423. Epub 2017 Nov 29.

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1
Protein Retrieval via Integrative Molecular Ensembles (PRIME) through Extended Similarity Indices.
J Chem Theory Comput. 2024 Jul 23;20(14):6303-6315. doi: 10.1021/acs.jctc.4c00362. Epub 2024 Jul 8.
2
Structure-conditioned amino-acid couplings: How contact geometry affects pairwise sequence preferences.
Protein Sci. 2022 Apr;31(4):900-917. doi: 10.1002/pro.4280. Epub 2022 Feb 15.
3
Modeling SARS-CoV-2 proteins in the CASP-commons experiment.
Proteins. 2021 Dec;89(12):1987-1996. doi: 10.1002/prot.26231. Epub 2021 Oct 5.
4
Evaluation of model refinement in CASP14.
Proteins. 2021 Dec;89(12):1852-1869. doi: 10.1002/prot.26185. Epub 2021 Jul 29.
5
Physics-based protein structure refinement in the era of artificial intelligence.
Proteins. 2021 Dec;89(12):1870-1887. doi: 10.1002/prot.26161. Epub 2021 Jun 29.
6
Conservation of binding properties in protein models.
Comput Struct Biotechnol J. 2021 Apr 25;19:2549-2566. doi: 10.1016/j.csbj.2021.04.048. eCollection 2021.
7
Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?
PLoS Comput Biol. 2021 May 13;17(5):e1008936. doi: 10.1371/journal.pcbi.1008936. eCollection 2021 May.
9
Improved Sampling Strategies for Protein Model Refinement Based on Molecular Dynamics Simulation.
J Chem Theory Comput. 2021 Mar 9;17(3):1931-1943. doi: 10.1021/acs.jctc.0c01238. Epub 2021 Feb 9.
10
Computational reconstruction of atomistic protein structures from coarse-grained models.
Comput Struct Biotechnol J. 2019 Dec 26;18:162-176. doi: 10.1016/j.csbj.2019.12.007. eCollection 2020.

本文引用的文献

2
What makes it difficult to refine protein models further via molecular dynamics simulations?
Proteins. 2018 Mar;86 Suppl 1(Suppl 1):177-188. doi: 10.1002/prot.25393. Epub 2017 Oct 16.
3
Protein structure prediction using Rosetta in CASP12.
Proteins. 2018 Mar;86 Suppl 1(Suppl 1):113-121. doi: 10.1002/prot.25390. Epub 2017 Oct 8.
4
A Simple and Efficient Protein Structure Refinement Method.
J Chem Theory Comput. 2017 Oct 10;13(10):5146-5162. doi: 10.1021/acs.jctc.7b00470. Epub 2017 Sep 14.
5
CHARMM36m: an improved force field for folded and intrinsically disordered proteins.
Nat Methods. 2017 Jan;14(1):71-73. doi: 10.1038/nmeth.4067. Epub 2016 Nov 7.
6
Assessment of refinement of template-based models in CASP11.
Proteins. 2016 Sep;84 Suppl 1(Suppl 1):260-81. doi: 10.1002/prot.25048. Epub 2016 Jun 15.
7
Demonstrating an Order-of-Magnitude Sampling Enhancement in Molecular Dynamics Simulations of Complex Protein Systems.
J Chem Theory Comput. 2016 Mar 8;12(3):1360-7. doi: 10.1021/acs.jctc.5b00913. Epub 2016 Feb 24.
8
CASP11 statistics and the prediction center evaluation system.
Proteins. 2016 Sep;84 Suppl 1(Suppl 1):15-9. doi: 10.1002/prot.25005. Epub 2016 Mar 9.
9
Advances in free-energy-based simulations of protein folding and ligand binding.
Curr Opin Struct Biol. 2016 Feb;36:25-31. doi: 10.1016/j.sbi.2015.12.002. Epub 2016 Jan 7.
10
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB.
J Chem Theory Comput. 2015 Aug 11;11(8):3696-713. doi: 10.1021/acs.jctc.5b00255. Epub 2015 Jul 23.

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