Detalhe da pesquisa
1.
TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client-server model.
J Chem Phys
; 158(4): 044801, 2023 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36725506
2.
Relaxation Dynamics of Hydrated Thymine, Thymidine, and Thymidine Monophosphate Probed by Liquid Jet Time-Resolved Photoelectron Spectroscopy.
J Phys Chem A
; 123(50): 10676-10684, 2019 Dec 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-31756106
3.
Media Framing and the Threat of Global Pandemics: The Ebola Crisis in UK Media and Policy Response.
Sociol Res Online
; 24(1): 73-92, 2019 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-34285639
4.
Sampling the protonation states: the pH-dependent UV absorption spectrum of a polypeptide dyad.
Phys Chem Chem Phys
; 20(36): 23252-23261, 2018 Sep 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-30187041
5.
Mapping the ultrafast vibrational dynamics of all-trans and 13-cis retinal isomerization in Anabaena Sensory Rhodopsin.
Phys Chem Chem Phys
; 20(48): 30159-30173, 2018 Dec 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-30484447
6.
pH-Dependent absorption spectrum of a protein: a minimal electrostatic model of Anabaena sensory rhodopsin.
Phys Chem Chem Phys
; 19(21): 14073-14084, 2017 May 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-28518188
7.
Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function.
J Am Chem Soc
; 138(31): 9807-25, 2016 08 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-27322488
8.
Modeling pH-Dependent Biomolecular Photochemistry.
J Chem Theory Comput
; 20(2): 842-855, 2024 Jan 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-38198619
9.
Voice-controlled quantum chemistry.
Nat Comput Sci
; 1(1): 42-45, 2021 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-38217155
10.
The non-adiabatic nanoreactor: towards the automated discovery of photochemistry.
Chem Sci
; 12(21): 7294-7307, 2021 Apr 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-34163820
11.
Frontiers in Multiscale Modeling of Photoreceptor Proteins.
Photochem Photobiol
; 97(2): 243-269, 2021 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-33369749
12.
CpHMD-Then-QM/MM Identification of the Amino Acids Responsible for the Anabaena Sensory Rhodopsin pH-Dependent Electronic Absorption Spectrum.
J Chem Theory Comput
; 15(8): 4535-4546, 2019 Aug 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-31264415
13.
Risky individuals and the politics of genetic research into aggressiveness and violence.
Bioethics
; 22(9): 509-18, 2008 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-18959733
14.
Directionality of Double-Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center.
J Phys Chem Lett
; 6(4): 599-604, 2015 Feb 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-26262473