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Characterization of the molten globule state of retinol-binding protein using a molecular dynamics simulation approach.
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- FEBS Journal, 2005, v. 272, n. 18, p. 4826, doi. 10.1111/j.1742-4658.2005.04898.x
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- Article
Transition states for protein folding have native topologies despite high structural variability.
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- Nature Structural & Molecular Biology, 2004, v. 11, n. 5, p. 443, doi. 10.1038/nsmb765
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- Article
Characterization of long and stable de novo single alpha-helix domains provides novel insight into their stability.
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- Scientific Reports, 2017, p. 44341, doi. 10.1038/srep44341
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- Article
Synthesis of a series of novel homo- and hetero-glycoclusters and their binding activities to DC-SIGN.
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- Journal of Chinese Pharmaceutical Sciences, 2021, v. 30, n. 11, p. 859, doi. 10.5246/jcps.2021.11.074
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- Article
Flexibility within the Rotor and Stators of the Vacuolar H<sup>+</sup>-ATPase.
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- PLoS ONE, 2013, v. 8, n. 12, p. 1, doi. 10.1371/journal.pone.0082207
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- Article
The Structure of Neuronal Calcium Sensor-1 in Solution Revealed by Molecular Dynamics Simulations.
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- PLoS ONE, 2013, v. 8, n. 9, p. 1, doi. 10.1371/journal.pone.0074383
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- Article
Growth Kinetics of Bacterial Pili from Pairwise Pilin Association Rates
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- PLoS ONE, 2013, v. 8, n. 5, p. 1, doi. 10.1371/journal.pone.0063065
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- Article
Large Domain Motions in Ago Protein Controlled by the Guide DNA-Strand Seed Region Determine the Ago- DNA-mRNA Complex Recognition Process.
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- PLoS ONE, 2013, v. 8, n. 1, p. 1, doi. 10.1371/journal.pone.0054620
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- Article
Quantifying the Effect of Polymer Blending through Molecular Modelling of Cyanurate Polymers.
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- PLoS ONE, 2012, v. 7, n. 9, p. 1, doi. 10.1371/journal.pone.0044487
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- Article
Characterization of the flexibility of the peripheral stalk of prokaryotic rotary A-ATPases by atomistic simulations.
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- Proteins, 2016, v. 84, n. 9, p. 1203, doi. 10.1002/prot.25066
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- Article
Prediction of stability changes upon mutation in an icosahedral capsid.
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- Proteins, 2015, v. 83, n. 9, p. 1733, doi. 10.1002/prot.24859
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- Article
Understanding the apparent stator-rotor connections in the rotary ATPase family using coarse-grained computer modeling.
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- Proteins, 2014, v. 82, n. 12, p. 3298, doi. 10.1002/prot.24680
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- Article
Comparison of the transition state ensembles for folding of Im7 and Im9 determined using all-atom molecular dynamics simulations with ϕ value restraints.
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- Proteins, 2004, v. 54, n. 3, p. 513, doi. 10.1002/prot.10595
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- Article
Native and non-native interactions along protein folding and unfolding pathways.
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- Proteins, 2002, v. 47, n. 3, p. 379, doi. 10.1002/prot.10089
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- Article
Activation of PKA via asymmetric allosteric coupling of structurally conserved cyclic nucleotide binding domains.
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- Nature Communications, 2019, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41467-019-11930-2
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- Article
On the volume of macromolecules.
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- Biopolymers, 1997, v. 41, n. 7, p. 785, doi. 10.1002/(SICI)1097-0282(199706)41:7<785::AID-BIP7>3.0.CO;2-L
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- Article
Optimal Reaction Coordinate as a Biomarker for the Dynamics of Recovery from Kidney Transplant.
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- PLoS Computational Biology, 2014, v. 10, n. 6, p. 1, doi. 10.1371/journal.pcbi.1003685
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- Article
Effects of Ligand Binding on the Mechanical Properties of Ankyrin Repeat Protein Gankyrin.
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- PLoS Computational Biology, 2013, v. 9, n. 1, p. 1, doi. 10.1371/journal.pcbi.1002864
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- Article
Analysis of the Free-Energy Surface of Proteins from Reversible Folding Simulations.
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- PLoS Computational Biology, 2009, v. 5, n. 7, p. 1, doi. 10.1371/journal.pcbi.1000428
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- Article
Gating of TonB-dependent transporters by substrate-specific forced remodelling.
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- Nature Communications, 2017, v. 8, n. 4, p. 14804, doi. 10.1038/ncomms14804
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- Article
Cooperative folding of intrinsically disordered domains drives assembly of a strong elongated protein.
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- Nature Communications, 2015, v. 6, n. 6, p. 7271, doi. 10.1038/ncomms8271
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- Article
The Mutagenic Plasticity of the Cholera Toxin B-Subunit Surface Residues: Stability and Affinity.
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- Toxins, 2024, v. 16, n. 3, p. 133, doi. 10.3390/toxins16030133
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- Article
Three key residues form a critical contact network in a protein folding transition state.
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- Nature, 2001, v. 409, n. 6820, p. 641, doi. 10.1038/35054591
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- Article
Myosin tails and single α-helical domains.
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- Biochemical Society Transactions, 2015, v. 43, n. 1, p. 58, doi. 10.1042/BST20140302
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- Article
Probing the free energy landscape of the FBP28WW domain using multiple techniques.
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- Journal of Computational Chemistry, 2009, v. 30, n. 7, p. 1059, doi. 10.1002/jcc.21128
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- Article
ORAC: A Molecular dynamics program to simulate complex molecular systems with realistic electrostatic interactions.
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- Journal of Computational Chemistry, 1997, v. 18, n. 15, p. 1848, doi. 10.1002/(SICI)1096-987X(19971130)18:15<1848::AID-JCC2>3.0.CO;2-O
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- Article
Erratum: Pulling geometry defines the mechanical resistance of a ß-sheet protein.
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- Nature Structural Biology, 2003, v. 10, n. 10, p. 872, doi. 10.1038/nsb1003-872b
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- Article
Pulling geometry defines the mechanical resistance of a ß-sheet protein.
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- Nature Structural Biology, 2003, v. 10, n. 9, p. 731, doi. 10.1038/nsb968
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- Article
Change of the unbinding mechanism upon a mutation: A molecular dynamics study of an antibody-hapten complex.
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- Protein Science: A Publication of the Protein Society, 2005, v. 14, n. 10, p. 2499, doi. 10.1110/ps.041280705
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- Article
Fast protein folding on downhill energy landscape.
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- Protein Science: A Publication of the Protein Society, 2003, v. 12, n. 8, p. 1801, doi. 10.1110/ps.0366103
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- Article
ALMOST: An all atom molecular simulation toolkit for protein structure determination.
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- Journal of Computational Chemistry, 2014, v. 35, n. 14, p. 1101, doi. 10.1002/jcc.23588
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- Article
Assessment of ab initio models of protein complexes by molecular dynamics.
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- PLoS Computational Biology, 2018, v. 14, n. 6, p. 1, doi. 10.1371/journal.pcbi.1006182
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- Article