Discovery of SBF1 as an allosteric inhibitor targeting the PIF-pocket of 3-phosphoinositide-dependent protein kinase-1 Read more about Discovery of SBF1 as an allosteric inhibitor targeting the PIF-pocket of 3-phosphoinositide-dependent protein kinase-1
Sensitive effect of linker histone binding mode and subtype on chromatin condensation Read more about Sensitive effect of linker histone binding mode and subtype on chromatin condensation
Insights into the binding mechanisms of inhibitors of MDM2 based on molecular dynamics simulations and binding free energy calculations Read more about Insights into the binding mechanisms of inhibitors of MDM2 based on molecular dynamics simulations and binding free energy calculations
Accurate and efficient calculation of protein-protein binding free energy-interaction entropy with residue type-specific dielectric constants Read more about Accurate and efficient calculation of protein-protein binding free energy-interaction entropy with residue type-specific dielectric constants
Computational analysis of hot spots and binding mechanism in the PD-1/PD-L1 interaction Read more about Computational analysis of hot spots and binding mechanism in the PD-1/PD-L1 interaction
A fragment quantum mechanical method for metalloproteins Read more about A fragment quantum mechanical method for metalloproteins
Computational analysis for residue-specific CDK2-inhibitor bindings Read more about Computational analysis for residue-specific CDK2-inhibitor bindings
Calculation of hot spots for protein-protein interaction in p53/PMI-MDM2/MDMX complexes Read more about Calculation of hot spots for protein-protein interaction in p53/PMI-MDM2/MDMX complexes
BAR-based optimum adaptive steered MD for configurational sampling Read more about BAR-based optimum adaptive steered MD for configurational sampling
Determination of binding affinities of 3-Hydroxy-3-Methylglutaryl Coenzyme A reductase inhibitors from free energy calculation Read more about Determination of binding affinities of 3-Hydroxy-3-Methylglutaryl Coenzyme A reductase inhibitors from free energy calculation