Pages that link to "Q36897559"

The following pages link to Potentials of mean force for acetylcholine unbinding from the alpha7 nicotinic acetylcholine receptor ligand-binding domain (Q36897559):

Displaying 32 items.

• Predicting absolute ligand binding free energies to a simple model site (Q24683618) (← links)
• Computational design of new Peptide inhibitors for amyloid Beta (aβ) aggregation in Alzheimer's disease: application of a novel methodology (Q28533731) (← links)
• Probing carbohydrate product expulsion from a processive cellulase with multiple absolute binding free energy methods (Q30432314) (← links)
• Mechanism and energetics of charybdotoxin unbinding from a potassium channel from molecular dynamics simulations (Q33427227) (← links)
• Ion conduction in ligand-gated ion channels: Brownian dynamics studies of four recent crystal structures (Q33622066) (← links)
• Computational and experimental insights into the mechanism of substrate recognition and feedback inhibition of protoporphyrinogen oxidase (Q34919428) (← links)
• Accurate Determination of the Binding Free Energy for KcsA-Charybdotoxin Complex from the Potential of Mean Force Calculations with Restraints (Q34978169) (← links)
• Partitioning of anesthetics into a lipid bilayer and their interaction with membrane-bound peptide bundles (Q35052046) (← links)
• Conformational changes in acetylcholine binding protein investigated by temperature accelerated molecular dynamics (Q35097431) (← links)
• Biophysical and computational studies of membrane penetration by the GRP1 pleckstrin homology domain. (Q35214470) (← links)
• A molecular dynamics study of the ligand release path in yeast cytosine deaminase (Q35781262) (← links)
• Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding (Q37276103) (← links)
• Key Residues and Phosphate Release Routes in the Saccharomyces cerevisiae Pho84 Transceptor: THE ROLE OF TYR179 IN FUNCTIONAL REGULATION. (Q37507506) (← links)
• The structural basis of function in Cys-loop receptors. (Q37789790) (← links)
• Slow dissociation of a charged ligand: analysis of the primary quinone Q(A) site of photosynthetic bacterial reaction centers (Q38835907) (← links)
• Evaluation of protein-ligand affinity prediction using steered molecular dynamics simulations (Q39257749) (← links)
• A Self-Adaptive Steered Molecular Dynamics Method Based on Minimization of Stretching Force Reveals the Binding Affinity of Protein-Ligand Complexes. (Q41180530) (← links)
• Investigation of indazole unbinding pathways in CYP2E1 by molecular dynamics simulations (Q42576395) (← links)
• Absolute FKBP binding affinities obtained via nonequilibrium unbinding simulations (Q42729386) (← links)
• Protein-protein interaction investigated by steered molecular dynamics: the TCR-pMHC complex (Q42942958) (← links)
• Homology modeling and dynamics of the extracellular domain of rat and human neuronal nicotinic acetylcholine receptor subtypes alpha4beta2 and alpha7. (Q46496806) (← links)
• Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins (Q47547572) (← links)
• Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs. (Q48031360) (← links)
• Steered molecular dynamics for studying ligand unbinding of ecdysone receptor. (Q48047905) (← links)
• Computational gibberellin-binding channel discovery unraveling the unexpected perception mechanism of hormone signal by gibberellin receptor (Q50739068) (← links)
• Impact of interfacial high-density water layer on accurate estimation of adsorption free energy by Jarzynski's equality. (Q50960896) (← links)
• Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: a steered molecular dynamics simulation route (Q51039120) (← links)
• Opposing Intermolecular Tuning of Ca2+ Affinity for Calmodulin by Neurogranin and CaMKII Peptides (Q51081890) (← links)
• Dynamic information for cardiotoxin protein desorption from a methyl-terminated self-assembled monolayer using steered molecular dynamics simulation (Q51566780) (← links)
• Exploring coumarin egress channels in human cytochrome p450 2a6 by random acceleration and steered molecular dynamics simulations (Q51639702) (← links)
• Computing Equilibrium Free Energies Using Non-Equilibrium Molecular Dynamics (Q57874419) (← links)
• Catalytic transport of molecular cargo using diffusive binding along a polymer track (Q91142688) (← links)