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Robert W Molt

Showing results (1-10 of 15) with videos related to

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Chemistry (Weinheim an Der Bergstrasse, Germany)|May 1, 2019
A GAP-GTPase-GDP-P<sub>i</sub> Intermediate Crystal Structure Analyzed by DFT Shows GTP Hydrolysis Involves Serial Proton TransfersRobert W Molt, Erika Pellegrini, Yi Jin
Topics in Current Chemistry (Cham)|March 17, 2017
Metal Fluorides: Tools for Structural and Computational Analysis of Phosphoryl Transfer EnzymesYi Jin, Robert W Molt, G Michael Blackburn
Journal of Molecular Modeling|November 27, 2012
Pragmatic ab initio prediction of enthalpies of formation for large molecules: accuracy of MP2 geometries and frequencies using CCSD(T) correlation energiesRobert W Molt, Alexandre Bazanté, Thomas Watson, et al.
Nucleic Acids Research|March 24, 2017
Consecutive non-natural PZ nucleobase pairs in DNA impact helical structure as seen in 50 μs molecular dynamics simulationsRobert W Molt, Millie M Georgiadis, Nigel G J Richards
The Journal of Physical Chemistry. A|November 10, 2012
Conformers of CL-20 explosive and ab initio refinement using perturbation theory: implications to detonation mechanismsRobert W Molt, Rodney J Bartlett, Thomas Watson, et al.
The Journal of Physical Chemistry. A|March 13, 2013
The great diversity of HMX conformers: probing the potential energy surface using CCSD(T)Robert W Molt, Thomas Watson, Alexandre P Bazanté, et al.
The Journal of Physical Chemistry. A|January 8, 2011
RDX geometries, excited states, and revised energy ordering of conformers via MP2 and CCSD(T) methodologies: insights into decomposition mechanismRobert W Molt, Thomas Watson, Victor F Lotrich, et al.
Physical Chemistry Chemical Physics : PCCP|October 7, 2016
Gas phase RDX decomposition pathways using coupled cluster theoryRobert W Molt, Thomas Watson, Alexandre P Bazanté, et al.
ACS Synthetic Biology|July 29, 2017
Structure and Biophysics for a Six Letter DNA Alphabet that Includes Imidazo[1,2-a]-1,3,5-triazine-2(8H)-4(3H)-dione (X) and 2,4-Diaminopyrimidine (K)Isha Singh, Myong-Jung Kim, Robert W Molt, et al.
Angewandte Chemie (International Ed. in English)|January 30, 2016
(19)F NMR and DFT Analysis Reveal Structural and Electronic Transition State Features for RhoA-Catalyzed GTP HydrolysisYi Jin, Robert W Molt, Jonathan P Waltho, et al.
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 1, 2019
A GAP-GTPase-GDP-P<sub>i</sub> Intermediate Crystal Structure Analyzed by DFT Shows GTP Hydrolysis Involves Serial Proton TransfersRobert W Molt, Erika Pellegrini, Yi Jin
Topics in Current Chemistry (Cham)|March 17, 2017
Metal Fluorides: Tools for Structural and Computational Analysis of Phosphoryl Transfer EnzymesYi Jin, Robert W Molt, G Michael Blackburn
Journal of Molecular Modeling|November 27, 2012
Pragmatic ab initio prediction of enthalpies of formation for large molecules: accuracy of MP2 geometries and frequencies using CCSD(T) correlation energiesRobert W Molt, Alexandre Bazanté, Thomas Watson, et al.
Nucleic Acids Research|March 24, 2017
Consecutive non-natural PZ nucleobase pairs in DNA impact helical structure as seen in 50 μs molecular dynamics simulationsRobert W Molt, Millie M Georgiadis, Nigel G J Richards
The Journal of Physical Chemistry. A|November 10, 2012
Conformers of CL-20 explosive and ab initio refinement using perturbation theory: implications to detonation mechanismsRobert W Molt, Rodney J Bartlett, Thomas Watson, et al.
The Journal of Physical Chemistry. A|March 13, 2013
The great diversity of HMX conformers: probing the potential energy surface using CCSD(T)Robert W Molt, Thomas Watson, Alexandre P Bazanté, et al.
The Journal of Physical Chemistry. A|January 8, 2011
RDX geometries, excited states, and revised energy ordering of conformers via MP2 and CCSD(T) methodologies: insights into decomposition mechanismRobert W Molt, Thomas Watson, Victor F Lotrich, et al.
Physical Chemistry Chemical Physics : PCCP|October 7, 2016
Gas phase RDX decomposition pathways using coupled cluster theoryRobert W Molt, Thomas Watson, Alexandre P Bazanté, et al.
ACS Synthetic Biology|July 29, 2017
Structure and Biophysics for a Six Letter DNA Alphabet that Includes Imidazo[1,2-a]-1,3,5-triazine-2(8H)-4(3H)-dione (X) and 2,4-Diaminopyrimidine (K)Isha Singh, Myong-Jung Kim, Robert W Molt, et al.
Angewandte Chemie (International Ed. in English)|January 30, 2016
(19)F NMR and DFT Analysis Reveal Structural and Electronic Transition State Features for RhoA-Catalyzed GTP HydrolysisYi Jin, Robert W Molt, Jonathan P Waltho, et al.
Pageof 2