Molecular Modeling Reveals the Mechanism of Ran-RanGAP-Catalyzed Guanosine Triphosphate Hydrolysis without an Arginine Finger

ACS Catalysis ◽  
2021 ◽  
pp. 8985-8998
Author(s):  
Maria G. Khrenova ◽  
Bella L. Grigorenko ◽  
Alexander V. Nemukhin
2019 ◽  
Vol 17 (19) ◽  
pp. 4879-4891 ◽  
Author(s):  
Bella L. Grigorenko ◽  
Ekaterina D. Kots ◽  
Alexander V. Nemukhin

Different mechanisms of GTP hydrolysis by Ras–GAP are revealed in QM/MM simulations depending on molecular groups at position 61 in Ras.


1998 ◽  
Vol 95 (2) ◽  
pp. 357-365 ◽  
Author(s):  
C. Saucier ◽  
I. Pianet ◽  
M. Laguerre ◽  
Y. Glories

1991 ◽  
Vol 88 ◽  
pp. 2497-2503 ◽  
Author(s):  
DJ Vanderveken ◽  
G Baudoux ◽  
F Durant ◽  
DP Vercauteren
Keyword(s):  

2018 ◽  
Author(s):  
Antoine Taly ◽  
Francesco Nitti ◽  
Marc Baaden ◽  
samuela pasquali

<div>We present here an interdisciplinary workshop on the subject of biomolecules offered to undergraduate and high-school students with the aim of boosting their interest toward all areas of science contributing to the study of life. The workshop involves Mathematics, Physics, Chemistry, Computer Science and Biology. Based on our own areas of research, molecular modeling is chosen as central axis as it involves all disciplines. In order to provide a strong biological motivation for the study of the dynamics of biomolecules, the theme of the workshop is the origin of life. </div><div>All sessions are built around active pedagogies, including games, and a final poster presentation.</div>


2019 ◽  
Author(s):  
Nishant Singh ◽  
Bruno Lainer ◽  
Georges Formon ◽  
Serena De Piccoli ◽  
Thomas Hermans

Nature uses catalysis as an indispensable tool to control assembly and reaction cycles in vital non-equilibrium supramolecular processes. For instance, enzymatic methionine oxidation regulates actin (dis)assembly, and catalytic guanosine triphosphate hydrolysis is found in tubulin (dis)assembly. Here we present a completely artificial reaction cycle which is driven by a chemical fuel that is catalytically obtained from a ‘pre-fuel’. The reaction cycle controls the disassembly and re-assembly of a hydrogel, where the rate of pre-fuel turnover dictates the morphology as well as the mechanical properties. By adding additional fresh aliquots of fuel and removing waste, the hydrogels can be re-programmed time after time. Overall, we show how catalysis can control fuel generation to control reaction / assembly kinetics and materials properties in life-like non-equilibrium systems.


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