Pages that link to "Q52372238"

The following pages link to Free energy simulations: the meaning of the individual contributions from a component analysis. (Q52372238):

Displaying 40 items.

• Enzyme Selectivity of HIV Reverse Transcriptase: Conformations, Ligands, and Free Energy Partition (Q27301291) (← links)
• Contribution of Thr29 to the thermodynamic stability of goat alpha-lactalbumin as determined by experimental and theoretical approaches (Q27634694) (← links)
• Implicit solvent models (Q28267646) (← links)
• Stability of a protein tethered to a surface (Q30158026) (← links)
• Assignment of side-chain conformation using adiabatic energy mapping, free energy perturbation, and molecular dynamic simulations (Q30322231) (← links)
• Selectivity and specificity of substrate binding in methionyl-tRNA synthetase. (Q30343058) (← links)
• Entropy in protein folding and in protein-protein interactions (Q30426875) (← links)
• Computed free energy differences between point mutations in a collagen-like peptide (Q31909202) (← links)
• Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase (Q32124412) (← links)
• Dynamical insight into Caenorhabditis elegans eIF4E recognition specificity for mono-and trimethylated structures of mRNA 5' cap. (Q33599838) (← links)
• Understanding the thermodynamic stability of an RNA hairpin and its mutant (Q34017662) (← links)
• Ion transport in the gramicidin channel: molecular dynamics study of single and double occupancy (Q34128660) (← links)
• Free energy simulations come of age: protein-ligand recognition (Q34691182) (← links)
• Protein-protein recognition: an experimental and computational study of the R89K mutation in Raf and its effect on Ras binding (Q36281165) (← links)
• Conditional solvation thermodynamics of isoleucine in model peptides and the limitations of the group-transfer model (Q37714202) (← links)
• Predicting the effects of basepair mutations in DNA-protein complexes by thermodynamic integration. (Q38272815) (← links)
• Application of binding free energy calculations to prediction of binding modes and affinities of MDM2 and MDMX inhibitors (Q39597289) (← links)
• Dependence of protein stability on the structure of the denatured state: free energy calculations of I56V mutation in human lysozyme (Q40131035) (← links)
• Modelling mutations and homologous proteins (Q40425218) (← links)
• Influence of the membrane potential on the free energy of an intrinsic protein (Q41786567) (← links)
• Physical basis of metal-binding specificity in Escherichia coli NikR (Q41893966) (← links)
• Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study (Q42536182) (← links)
• Free energy simulations of a GTPase: GTP and GDP binding to archaeal initiation factor 2. (Q42736099) (← links)
• Electrostatic effects on the free-energy balance in folding a ribosome-inactivating protein (Q43733544) (← links)
• Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database (Q46105073) (← links)
• Glycogen phosphorylase inhibitors: a free energy perturbation analysis of glucopyranose spirohydantoin analogues (Q46770714) (← links)
• Free-energy simulations and experiments reveal long-range electrostatic interactions and substrate-assisted specificity in an aminoacyl-tRNA synthetase (Q46891251) (← links)
• Entropy Drives the Formation of Salt Bridges in the Protein GB3. (Q47859023) (← links)
• Ammonium scanning in an enzyme active site. The chiral specificity of aspartyl-tRNA synthetase (Q50938773) (← links)
• Binding free energy differences in a TCR-peptide-MHC complex induced by a peptide mutation: a simulation analysis. (Q52027903) (← links)
• An automated method for dynamic ligand design. (Q52322027) (← links)
• Computational design of a substrate specificity mutant of a protein. (Q54575988) (← links)
• 3D-RISM-KH approach for biomolecular modelling at nanoscale: thermodynamics of fibril formation and beyond (Q57014330) (← links)
• Specific amino acid recognition by aspartyl-tRNA synthetase studied by free energy simulations 1 1A. R. Fersht (Q57077685) (← links)
• pH dependence of antibody: hapten association (Q57135970) (← links)
• Energetic decomposition of the alpha-helix-coil equilibrium of a dynamic model system (Q57136776) (← links)
• pH Dependence of binding reactions from free energy simulations and macroscopic continuum electrostatic calculations: Application to 2′GMP/3′GMP binding to ribonuclease T1 and implications for catalysis (Q58846746) (← links)
• Stability analysis for the cavity-filling mutations of the Myb DNA-binding domain utilizing free-energy calculations (Q73403638) (← links)
• Free energy simulations: use of reverse cumulative averaging to determine the equilibrated region and the time required for convergence (Q80369348) (← links)
• Effect of osteogenesis imperfecta mutations on free energy of collagen model peptides: A molecular dynamics simulation (Q83936339) (← links)