Edina Rosta

Citata da

	Tutte	Dal 2019
Citazioni	13361	7361
Indice H	44	33
i10-index	87	81

1500

750

375

1125

200620072008200920102011201220132014201520162017201820192020202120222023202447 160 231 300 336 353 385 446 489 545 707 869 1021 1130 1322 1423 1204 1109 1165

Accesso pubblico

Visualizza tutto

89 articoli

6 articoli

Disponibili

Non disponibili

In base ai mandati di finanziamento

Coautori

Oren A. SchermanDirector of the Melville Laboratory for Polymer Synthesis, Department of Chemistry, University ofEmail verificata su cam.ac.uk
Jeremy J. BaumbergProfessor of NanoScience, University of CambridgeEmail verificata su cam.ac.uk
Bart de NijsRoyal Society URF, University of CambridgeEmail verificata su cam.ac.uk
Gerhard HummerMax Planck Institute of BiophysicsEmail verificata su biophys.mpg.de
Rohit ChikkaraddyAssistant Professor, University of Birmingham, UKEmail verificata su bham.ac.uk
Steven J. BarrowRoyal Melbourne Institute of Technology (RMIT)Email verificata su rmit.edu.au
Tamás FöldesInstitut de Biologie StructuraleEmail verificata su ibs.fr
Dénes BertaResearch Fellow, University College LondonEmail verificata su ucl.ac.uk
Pablo G. JambrinaInvestigador. Departamento de Química Física. Universidad de SalamancaEmail verificata su usal.es
Nicolae-Viorel (Vio) BucheteAssociate Professor, School of Physics and UCD Institute for Discovery, University College DublinEmail verificata su ucd.ie
Charlie ReadmanPDRA, University of CambridgeEmail verificata su cam.ac.uk
Marco KlähnSenior Researcher, Institute of Chemical Engineering and Science, A*STAR, SingaporeEmail verificata su ices.a-star.edu.sg
Angela DemetriadouUniversity of BirminghamEmail verificata su bham.ac.uk
Felix BenzNanoPhotonics Centre, University of CambridgeEmail verificata su cam.ac.uk
Walter KolchDirector, Systems Biology Ireland, University College DublinEmail verificata su ucd.ie
Magd BadaouiExscientiaEmail verificata su exscientia.co.uk
Reynier SuardíazSenior Research Fellow at the University of PortsmouthEmail verificata su port.ac.uk
Guanglu Wu (吴光鹭)State Key Laboratory of Supramolecular Structure and Materials, Jilin UniversityEmail verificata su jlu.edu.cn
Ortwin HessChair Professor of Quantum Nanophotonics, Trinity College DublinEmail verificata su tcd.ie
Bernard R. BrooksNIH NHLBIEmail verificata su nih.gov

Segui

Edina Rosta

University College London

Email verificata su ucl.ac.uk - Home page

theoretical and computational biophysics enzyme reaction mechanisms Markov State Models enhanced sampling metho


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015	3202	2015
Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006	3054	2006
Single-molecule strong coupling at room temperature in plasmonic nanocavities R Chikkaraddy, B De Nijs, F Benz, SJ Barrow, OA Scherman, E Rosta, ... Nature 535 (7610), 127-130, 2016	1915	2016
On the mechanism of hydrolysis of phosphate monoesters dianions in solutions and proteins M Klähn, E Rosta, A Warshel Journal of the American Chemical Society 128 (47), 15310-15323, 2006	235	2006
On possible pitfalls in ab initio quantum mechanics/molecular mechanics minimization approaches for studies of enzymatic reactions M Klähn, S Braun-Sand, E Rosta, A Warshel The Journal of Physical Chemistry B 109 (32), 15645-15650, 2005	205	2005
Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulations E Rosta, M Nowotny, W Yang, G Hummer Journal of the American Chemical Society 133 (23), 8934-8941, 2011	204	2011
Towards accurate ab initio QM/MM calculations of free-energy profiles of enzymatic reactions E Rosta, M Klähn, A Warshel The Journal of Physical Chemistry B 110 (6), 2934-2941, 2006	195	2006
Free energies from dynamic weighted histogram analysis using unbiased Markov state model E Rosta, G Hummer Journal of chemical theory and computation 11 (1), 276-285, 2015	168	2015
Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity DJ Huggins, PC Biggin, MA Dämgen, JW Essex, SA Harris, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (3), e1393, 2019	163	2019
Using the constrained DFT approach in generating diabatic surfaces and off diagonal empirical valence bond terms for modeling reactions in condensed phases G Hong, E Rosta, A Warshel The Journal of Physical Chemistry B 110 (39), 19570-19574, 2006	135	2006
On the interpretation of the observed linear free energy relationship in phosphate hydrolysis: a thorough computational study of phosphate diester hydrolysis in solution E Rosta, SCL Kamerlin, A Warshel Biochemistry 47 (12), 3725-3735, 2008	132	2008
Room-Temperature Optical Picocavities below 1 nm³ Accessing Single-Atom Geometries C Carnegie, J Griffiths, B De Nijs, C Readman, R Chikkaraddy, ... The Journal of Physical Chemistry Letters 9 (24), 7146-7151, 2018	129	2018
Extending the mirror neuron system model, I: Audible actions and invisible grasps J Bonaiuto, E Rosta, M Arbib Biological cybernetics 96 (1), 9-38, 2007	119	2007
Two-body zeroth order Hamiltonians in multireference perturbation theory: The APSG reference state E Rosta, PR Surján The Journal of chemical physics 116 (3), 878-890, 2002	116	2002
Thermostat artifacts in replica exchange molecular dynamics simulations E Rosta, NV Buchete, G Hummer Journal of chemical theory and computation 5 (5), 1393-1399, 2009	108	2009
Cucurbit [7] uril as a supramolecular artificial enzyme for Diels–Alder reactions A Palma, M Artelsmair, G Wu, X Lu, SJ Barrow, N Uddin, E Rosta, ... Angewandte Chemie 129 (49), 15894-15898, 2017	105	2017
Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states H Wu, ASJS Mey, E Rosta, F Noé The Journal of Chemical Physics 141 (21), 2014	103	2014
Artificial reaction coordinate “tunneling” in free‐energy calculations: The catalytic reaction of RNase H E Rosta, HL Woodcock, BR Brooks, G Hummer Journal of computational chemistry 30 (11), 1634-1641, 2009	103	2009
Error and efficiency of replica exchange molecular dynamics simulations E Rosta, G Hummer The Journal of chemical physics 131 (16), 2009	102	2009
Detecting mid-infrared light by molecular frequency upconversion in dual-wavelength nanoantennas A Xomalis, X Zheng, R Chikkaraddy, Z Koczor-Benda, E Miele, E Rosta, ... Science 374 (6572), 1268-1271, 2021	99	2021

Il sistema al momento non può eseguire l'operazione. Riprova più tardi.

Articoli 1–20

Citazioni per anno

Citazioni duplicate

Citazioni unite

Aggiungi coautoriCoautori

Segui

Citata da

Coautori