| scholarly article | Q13442814 |
| P2093 | author name string | Benoît Roux | |
| Jiyao Wang | |||
| Yuqing Deng | |||
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| P4510 | describes a project that uses | molecular dynamics simulation | Q901663 |
| P433 | issue | 8 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 2798-2814 | |
| P577 | publication date | 2006-07-14 | |
| P1433 | published in | Biophysical Journal | Q2032955 |
| P1476 | title | Absolute binding free energy calculations using molecular dynamics simulations with restraining potentials | |
| P478 | volume | 91 |
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| Q101038765 | An in-silico layer-by-layer adsorption study of the interaction between Rebaudioside A and the T1R2 human sweet taste receptor: modelling and biosensing perspectives |
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| Q50060201 | BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations. |
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| Q35169470 | Computation of Absolute Hydration and Binding Free Energy with Free Energy Perturbation Distributed Replica-Exchange Molecular Dynamics (FEP/REMD). |
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| Q45984542 | Computational studies of human galectin-1: role of conserved tryptophan residue in stacking interaction with carbohydrate ligands. |
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| Q35773629 | Conformational Transitions and Convergence of Absolute Binding Free Energy Calculations |
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| Q35661490 | Cooperative DNA Recognition Modulated by an Interplay between Protein-Protein Interactions and DNA-Mediated Allostery |
| Q27704012 | Crystal structure of the deglycating enzyme Amadoriase I in its free form and substrate-bound complex |
| Q35136572 | Current progress in Structure-Based Rational Drug Design marks a new mindset in drug discovery |
| Q41989179 | Distinguishing binders from false positives by free energy calculations: fragment screening against the flap site of HIV protease |
| Q34494478 | Dual role of protein phosphorylation in DNA activator/coactivator binding |
| Q92931151 | Effect of Dimethyl Sulfoxide on the Binding of 1-Adamantane Carboxylic Acid to β- and γ-Cyclodextrins |
| Q37624587 | Effects of hypoxanthine substitution in peptide nucleic acids targeting KRAS2 oncogenic mRNA molecules: theory and experiment |
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| Q42371317 | Energetics of double-ion occupancy in the gramicidin A channel |
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| Q50643424 | I. Dissociation free energies of drug-receptor systems via non-equilibrium alchemical simulations: a theoretical framework. |
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