| scholarly article | Q13442814 |
| P50 | author | Chris Oostenbrink | Q30505204 |
| Matthias Diem | Q64034479 | ||
| Aysegül Turupcu | Q88619746 | ||
| P2093 | author name string | Lorna J Smith | |
| P2860 | cites work | pdb-care (PDB carbohydrate residue check): a program to support annotation of complex carbohydrate structures in PDB files | Q24798795 |
| Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting | Q27301379 | ||
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| Short O-GalNAc glycans: regulation and role in tumor development and clinical perspectives | Q28079291 | ||
| A fast pairlist-construction algorithm for molecular simulations under periodic boundary conditions | Q28269160 | ||
| On the frequency of protein glycosylation, as deduced from analysis of the SWISS-PROT database | Q28610113 | ||
| Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes | Q29397708 | ||
| Martini Coarse-Grained Force Field: Extension to Carbohydrates. | Q30381806 | ||
| Intrinsic backbone preferences are fully present in blocked amino acids | Q31030110 | ||
| Direct NOE simulation from long MD trajectories | Q31041298 | ||
| Serine versus threonine glycosylation: the methyl group causes a drastic alteration on the carbohydrate orientation and on the surrounding water shell | Q31117920 | ||
| Deriving Structural Information from Experimentally Measured Data on Biomolecules. | Q31143273 | ||
| New insights into alpha-GalNAc-Ser motif: influence of hydrogen bonding versus solvent interactions on the preferred conformation. | Q33262904 | ||
| Influence of solvent and intramolecular hydrogen bonding on the conformational properties of o-linked glycopeptides | Q33985110 | ||
| CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling. | Q34085563 | ||
| Protein tyrosine O-glycosylation--a rather unexplored prokaryotic glycosylation system. | Q34101869 | ||
| A novel glycosyl-amino acid linkage: rabbit-muscle glycogen is covalently linked to a protein via tyrosine | Q34200748 | ||
| Local elevation: a method for improving the searching properties of molecular dynamics simulation. | Q34309917 | ||
| Populations of the three major backbone conformations in 19 amino acid dipeptides. | Q34550065 | ||
| GLYCAM06: a generalizable biomolecular force field. Carbohydrates | Q34686342 | ||
| Carbohydrate force fields | Q34730263 | ||
| Concepts and principles of O-linked glycosylation | Q34749639 | ||
| Using the local elevation method to construct optimized umbrella sampling potentials: calculation of the relative free energies and interconversion barriers of glucopyranose ring conformers in water. | Q34978974 | ||
| Using Complementary NMR Data Sets To Detect Inconsistencies and Model Flaws in the Structure Determination of Human Interleukin-4. | Q36412281 | ||
| Mucin-Type Glycoproteins | Q36727757 | ||
| Cell surface mucin-type glycoproteins and mucin-like domains | Q37071602 | ||
| Modeling of Oligosaccharides within Glycoproteins from Free-Energy Landscapes. | Q38620585 | ||
| N-Acetylated amino sugars: the dependence of NMR 3J(HNH2)-couplings on conformation, dynamics and solvent | Q38627115 | ||
| Validation of Molecular Simulation: An Overview of Issues | Q38691259 | ||
| Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates | Q38965242 | ||
| Sweet New Roles for Protein Glycosylation in Prokaryotes. | Q39199733 | ||
| GROMOS 53A6GLYC, an Improved GROMOS Force Field for Hexopyranose-Based Carbohydrates | Q40276964 | ||
| GROMOS++ Software for the Analysis of Biomolecular Simulation Trajectories | Q40284674 | ||
| Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an anti-MUC1 Antibody | Q40789473 | ||
| Conformational sampling of oligosaccharides using Hamiltonian replica exchange with two-dimensional dihedral biasing potentials and the weighted histogram analysis method (WHAM). | Q41370134 | ||
| Mapping of epitopes, glycosylation sites, and complement regulatory domains in human decay accelerating factor | Q41596227 | ||
| O-linked sugar chain of human granulocyte colony-stimulating factor protects it against polymerization and denaturation allowing it to retain its biological activity | Q41728167 | ||
| Protein-bound glycogen is linked to tyrosine residues | Q42121244 | ||
| N.m.r. study on conformation of Ac-Thr(alpha-GalNAc)-Ala-Ala-OMe as a model for mucin type glycoprotein | Q42193716 | ||
| Conformational effects of the non-natural alpha-methylserine on small peptides and glycopeptides. | Q43238840 | ||
| Relevance of glycosylation of human zona pellucida glycoproteins for their binding to capacitated human spermatozoa and subsequent induction of acrosomal exocytosis | Q43942351 | ||
| Comparison of the effects of amino acid substitutions and beta-N- vs. alpha-O-glycosylation on the T-cell stimulatory activity and conformation of an epitope on the rabies virus glycoprotein | Q45789190 | ||
| A new GROMOS force field for hexopyranose-based carbohydrates | Q46611601 | ||
| Validation and Comparison of Force Fields for Native Cyclodextrins in Aqueous Solution | Q47233885 | ||
| Enhanced Conformational Sampling in Molecular Dynamics Simulations of Solvated Peptides: Fragment-Based Local Elevation Umbrella Sampling. | Q51037946 | ||
| Enhanced sampling of peptide and protein conformations using replica exchange simulations with a peptide backbone biasing-potential. | Q51101606 | ||
| Extension of the GROMOS 56a6CARBO/CARBO_R Force Field for Charged, Protonated, and Esterified Uronates. | Q52646619 | ||
| Enhanced conformational sampling of carbohydrates by Hamiltonian replica-exchange simulation | Q56084941 | ||
| Bestimmung von Strukturinformation aus experimentellen Messdaten für Biomoleküle | Q57204634 | ||
| Molecular dynamics with coupling to an external bath | Q57569060 | ||
| New Interaction Parameters for Charged Amino Acid Side Chains in the GROMOS Force Field | Q58005486 | ||
| Calculation of NMR-relaxation parameters for flexible molecules from molecular dynamics simulations | Q58616239 | ||
| Stabilization of the T1 fragment of glycophorin A(N) through interactions with N-and O-linked glycans | Q71011177 | ||
| Isolation and characterization of novel mucin-like glycoproteins from cobra venom | Q72108065 | ||
| Folding-unfolding thermodynamics of a beta-heptapeptide from equilibrium simulations | Q74452346 | ||
| Extension and validation of the GROMOS 53A6(GLYC) parameter set for glycoproteins | Q85264593 | ||
| Revision of the GROMOS 56A6(CARBO) force field: Improving the description of ring-conformational equilibria in hexopyranose-based carbohydrates chains | Q86605596 | ||
| Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition | Q90030361 | ||
| P433 | issue | 11 | |
| P304 | page(s) | 1527-1537 | |
| P577 | publication date | 2019-05-06 | |
| P1433 | published in | ChemPhysChem | Q2012739 |
| P1476 | title | Structural Aspects of the O-glycosylation Linkage in Glycopeptides via MD Simulations and Comparison with NMR Experiments | |
| P478 | volume | 20 |
| Q92154646 | Molecular Conformations of Di-, Tri-, and Tetra-α-(2→8)-Linked Sialic Acid from NMR Spectroscopy and MD Simulations | cites work | P2860 |
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