Researchers have also explored serine in their efforts to develop selective monoacylglycerol lipase inhibitors based on an azetidin-2-one motif. They were able to confirm covalent binding via X-ray ...

We were interested in whether this strategy would be applicable to the design of LIMK1-selective tool compounds. To develop a covalent inhibitor, we therefore synthesized a series of LIMK-i3-based ...

Generic ionic models optimized to replicate experimentally recorded cardiac action potentials (APs) from the central and peripheral sinoatrial node (SAN), the natural pacemaker of the heart, as well ...

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Understanding the interaction between compounds and proteins is a crucial step in the process of discovering and developing drugs. To assist biologists and medicinal chemists, predicting ...