| Year |
Citation |
Score |
| 2019 |
Jin Y, Molt RW, Pellegrini E. A GAP-GTPase-GDP-Pi Intermediate Crystal Structure Analyzed by DFT Shows GTP Hydrolysis Involves Serial Proton Transfers. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31038818 DOI: 10.1002/Chem.201901627 |
0.374 |
|
| 2017 |
Singh I, Kim MJ, Molt RW, Hoshika S, Benner SA, Georgiadis MM. 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). Acs Synthetic Biology. PMID 28752992 DOI: 10.1021/Acssynbio.7B00150 |
0.31 |
|
| 2016 |
Molt RW, Watson T, Bazanté AP, Bartlett RJ, Richards NG. Gas phase RDX decomposition pathways using coupled cluster theory. Physical Chemistry Chemical Physics : Pccp. 18: 26069-26077. PMID 27711737 DOI: 10.1039/C6Cp05121A |
0.663 |
|
| 2016 |
Jin Y, Molt RW, Waltho JP, Richards NG, Blackburn GM. (19)F NMR and DFT Analysis Reveal Structural and Electronic Transition State Features for RhoA-Catalyzed GTP Hydrolysis. Angewandte Chemie (International Ed. in English). 55: 3318-22. PMID 26822702 DOI: 10.1002/Anie.201509477 |
0.345 |
|
| 2015 |
Molt RW, Lecher AM, Clark T, Bartlett RJ, Richards NG. Facile C(sp(2))-C(sp(2)) bond cleavage in oxalic acid-derived radicals. Journal of the American Chemical Society. 137: 3248-52. PMID 25702589 DOI: 10.1021/Ja510666R |
0.509 |
|
| 2015 |
Byrd JN, Jindal N, Molt RW, Bartlett RJ, Sanders BA, Lotrich VF. Molecular cluster perturbation theory. I. Formalism Molecular Physics. DOI: 10.1080/00268976.2015.1036145 |
0.724 |
|
| 2014 |
Perera A, Molt RW, Lotrich VF, Bartlett RJ. Singlet-triplet separations of di-radicals treated by the DEA/DIP-EOM-CCSD methods Theoretical Chemistry Accounts. 133. DOI: 10.1007/S00214-014-1514-5 |
0.54 |
|
| 2013 |
Molt RW, Watson T, Bazanté AP, Bartlett RJ. The great diversity of HMX conformers: probing the potential energy surface using CCSD(T). The Journal of Physical Chemistry. A. 117: 3467-74. PMID 23477630 DOI: 10.1021/Jp311073M |
0.673 |
|
| 2013 |
Molt RW, Bazanté A, Watson T, Bartlett RJ. Pragmatic ab initio prediction of enthalpies of formation for large molecules: accuracy of MP2 geometries and frequencies using CCSD(T) correlation energies. Journal of Molecular Modeling. 19: 2821-4. PMID 23179766 DOI: 10.1007/S00894-012-1663-1 |
0.579 |
|
| 2012 |
Molt RW, Bartlett RJ, Watson T, Bazanté AP. Conformers of CL-20 explosive and ab initio refinement using perturbation theory: implications to detonation mechanisms. The Journal of Physical Chemistry. A. 116: 12129-35. PMID 23136867 DOI: 10.1021/Jp305443H |
0.656 |
|
| 2011 |
Molt RW, Watson T, Lotrich VF, Bartlett RJ. RDX geometries, excited states, and revised energy ordering of conformers via MP2 and CCSD(T) methodologies: insights into decomposition mechanism. The Journal of Physical Chemistry. A. 115: 884-90. PMID 21210658 DOI: 10.1021/Jp109695V |
0.649 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2017 |
Jin Y, Molt RW, Blackburn GM. Metal Fluorides: Tools for Structural and Computational Analysis of Phosphoryl Transfer Enzymes. Topics in Current Chemistry (Journal). 375: 36. PMID 28299727 DOI: 10.1007/S41061-017-0130-Y |
0.3 |
|
| 2018 |
Hoshika S, Singh I, Switzer C, Molt RW, Leal NA, Kim MJ, Kim MS, Kim HJ, Georgiadis MM, Benner SA. "Skinny" and "Fat" DNA: Two New Double Helices. Journal of the American Chemical Society. PMID 30148365 DOI: 10.1021/Jacs.8B05042 |
0.29 |
|
| 2017 |
Karalkar NB, Khare K, Molt R, Benner SA. Tautomeric equilibria of iso-guanine and related purine analogs. Nucleosides, Nucleotides & Nucleic Acids. 1-19. PMID 28332916 DOI: 10.1080/15257770.2016.1268694 |
0.267 |
|
| 2017 |
Molt RW, Georgiadis MM, Richards NGJ. Consecutive non-natural PZ nucleobase pairs in DNA impact helical structure as seen in 50 μs molecular dynamics simulations. Nucleic Acids Research. 45: 3643-3653. PMID 28334863 DOI: 10.1093/Nar/Gkx144 |
0.218 |
|
| 2017 |
Jin Y, Molt RW, Pellegrini E, Cliff MJ, Bowler MW, Richards NGJ, Blackburn GM, Waltho JP. Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches. Angewandte Chemie (International Ed. in English). 56: 9732-9735. PMID 28498638 DOI: 10.1002/Anie.201703074 |
0.211 |
|
| 2021 |
Ge M, Molt RW, Jenkins HT, Blackburn GM, Jin Y, Antson AA. Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the Transition State in a Biological Motor. Acs Catalysis. 11: 2769-2773. PMID 33717640 DOI: 10.1021/acscatal.0c04500 |
0.203 |
|
| 2009 |
Oxley P, Goodell J, Molt R. Magnetic properties of stainless steels at room and cryogenic temperatures Journal of Magnetism and Magnetic Materials. 321: 2107-2114. DOI: 10.1016/J.Jmmm.2009.01.002 |
0.034 |
|
| Hide low-probability matches. |