43 results on '"Warshel, Arieh"'
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2. Natural Evolution Provides Strong Hints about Laboratory Evolution of Designer Enzymes
3. Enhancing computational enzyme design by a maximum entropy strategy
4. Electrostatic influence on IL-1 transport through the GSDMD pore
5. Simulating the directional translocation of a substrate by the AAA+ motor in the 26S proteasome
6. Exploring the activation pathway and G i -coupling specificity of the μ-opioid receptor
7. Revisiting the protomotive vectorial motion of F 0 -ATPase
8. Exploring the challenges of computational enzyme design by rebuilding the active site of a dehalogenase
9. Exploring the free-energy landscape of GPCR activation
10. On the control of the proton current in the voltage-gated proton channel Hv1
11. EF-Tu and EF-G are activated by allosteric effects
12. Reexamining the origin of the directionality of myosin V
13. Simulating the dynamics of the mechanochemical cycle of myosin-V
14. Analyzing the electrogenicity of cytochrome c oxidase
15. Brønsted slopes based on single-molecule imaging data help to unveil the chemically coupled rotation in F1-ATPase
16. Simulating the function of sodium/proton antiporters
17. The entropic contributions in vitamin B 12 enzymes still reflect the electrostatic paradigm
18. Dissecting the role of the γ-subunit in the rotary–chemical coupling and torque generation of F 1 -ATPase
19. Modeling gating charge and voltage changes in response to charge separation in membrane proteins
20. Coarse-grained simulations of the gating current in the voltage-activated Kv1.2 channel
21. Quantitative exploration of the molecular origin of the activation of GTPase
22. Electrostatic origin of the unidirectionality of walking myosin V motors
23. Exploring the nature of the translocon-assisted protein insertion
24. Realistic simulation of the activation of voltage-gated ion channels
25. Electrostatic origin of the mechanochemical rotary mechanism and the catalytic dwell of F1-ATPase
26. Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions
27. Converting structural information into an allosteric-energy-based picture for elongation factor Tu activation by the ribosome
28. On the energetics of translocon-assisted insertion of charged transmembrane helices into membranes
29. Exploring challenges in rational enzyme design by simulating the catalysis in artificial kemp eliminase
30. Reply to Karplus: Conformational dynamics have no role in the chemical step
31. Ketosteroid isomerase provides further support for the idea that enzymes work by electrostatic preorganization
32. Enzyme millisecond conformational dynamics do not catalyze the chemical step
33. Simulating the electrostatic guidance of the vectorial translocations in hexameric helicases and translocases
34. On the relationship between folding and chemical landscapes in enzyme catalysis
35. Electrostatic basis for the unidirectionality of the primary proton transfer in cytochrome c oxidase
36. A new paradigm for electrostatic catalysis of radical reactions in vitamin B 12 enzymes
37. Monte Carlo simulations of proton pumps: On the working principles of the biological valve that controls proton pumping in cytochrome c oxidase
38. Computer simulations of protein functions: Searching for the molecular origin of the replication fidelity of DNA polymerases
39. Converting conformational changes to electrostatic energy in molecular motors: The energetics of ATP synthase
40. Computer simulations of enzyme catalysis: Finding out what has been optimized by evolution
41. Energy considerations show that low-barrier hydrogen bonds do not offer a catalytic advantage over ordinary hydrogen bonds
42. Role of the chlorophyll dimer in bacterial photosynthesis
43. Electrostatic control of the efficiency of light-induced electron transfer across membranes
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