Rommie Amaro to Thermodynamics
This is a "connection" page, showing publications Rommie Amaro has written about Thermodynamics.
Connection Strength
1.061
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SEEKR: Simulation Enabled Estimation of Kinetic Rates, A Computational Tool to Estimate Molecular Kinetics and Its Application to Trypsin-Benzamidine Binding. J Phys Chem B. 2017 04 20; 121(15):3597-3606.
Score: 0.496
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An Integrated Markov State Model and Path Metadynamics Approach To Characterize Drug Binding Processes. J Chem Theory Comput. 2019 Oct 08; 15(10):5689-5702.
Score: 0.147
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D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J Comput Aided Mol Des. 2018 01; 32(1):1-20.
Score: 0.131
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Electrostatic Interactions as Mediators in the Allosteric Activation of Protein Kinase A RIa. Biochemistry. 2017 03 14; 56(10):1536-1545.
Score: 0.124
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Magnesium-induced nucleophile activation in the guanylyltransferase mRNA capping enzyme. Biochemistry. 2012 Dec 21; 51(51):10236-43.
Score: 0.092
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A potential interaction between the SARS-CoV-2 spike protein and nicotinic acetylcholine receptors. Biophys J. 2021 03 16; 120(6):983-993.
Score: 0.041
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Model of the Ankyrin and SOCS Box Protein, ASB9, E3 Ligase Reveals a Mechanism for Dynamic Ubiquitin Transfer. Structure. 2016 08 02; 24(8):1248-1256.
Score: 0.030