Johan Åqvist

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	All	Since 2015
Citations	16426	4923
h-index	66	36
i10-index	177	124

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1989199019911992199319941995199619971998199920002001200220032004200520062007200820092010201120122013201420152016201720182019202060 77 115 176 134 152 178 216 204 310 305 292 411 453 475 415 470 785 659 706 695 773 818 912 775 770 807 744 934 845 738 853

Co-authors

Hugo Gutierrez-de-TeranResearcher, Cell and molecular biology, Uppsala UniversityVerified email at icm.uu.se
Isabella FeierbergComputational chemist, AstraZenecaVerified email at better.se
Jens CarlssonSenior Lecturer, Uppsala UniversityVerified email at icm.uu.se
Kamerlin SC*Uppsala UniversityVerified email at kemi.uu.se
Henrik KeränenJanssen pharmaceuticaVerified email at its.jnj.com
Christoffer LindVerified email at xray.bmc.uu.se
Måns EhrenbergCell and Molecular BiologyVerified email at icm.uu.se
Fernanda DuarteUniversity of OxfordVerified email at chem.ox.ac.uk
Alexandre BarrozoPostdoctoral Fellow, Aix-Marseille UniversiteVerified email at tutanota.com
Stefan David KnightUppsala University, Department of Cell and Molecular BiologyVerified email at xray.bmc.uu.se
Dan LarhammarProfessor of Molecular Cell Biology, Uppsala UniversityVerified email at neuro.uu.se
Etienne DecrolyDR1 CNRS Aix Marseille universityVerified email at afmb.univ-mrs.fr
Hartmut LueckeProfessor & Director, Center for Biomembrane Systems, University of California, IrvineVerified email at uci.edu
Anna Stary-WeinzingerUniversity of ViennaVerified email at univie.ac.at
Bert L. de GrootMax Planck Institute for biophysical chemistryVerified email at gwdg.de
Torleif HärdProfessor of Structural Molecular Biology, SLU, UppsalaVerified email at slu.se
Zav'yalov VladimirDepartment of Chemistry, University of Turku, FinlandVerified email at utu.fi
Vladimir TischenkoИнститут теоретической и экспериментальной биофизикиVerified email at vega.protres.ru
Michael LandrehAssistant Professor, Department of Microbiology, Tumor and Cell Biology, Karolinska InstitutetVerified email at ki.se
Yasmin ShamsudinStanford UniversityVerified email at stanford.edu

Johan Åqvist

Professor of Theoretical Chemistry, Uppsala University

Verified email at xray.bmc.uu.se - Homepage

Computational Structural Biology Computational Biochemistry


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Ion-water interaction potentials derived from free energy perturbation simulations J Aqvist The Journal of Physical Chemistry 94 (21), 8021-8024, 1990	1610	1990
A new method for predicting binding affinity in computer-aided drug design J Åqvist, C Medina, JE Samuelsson Protein Engineering, Design and Selection 7 (3), 385-391, 1994	1254	1994
Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches J Åqvist, A Warshel Chemical reviews 93 (7), 2523-2544, 1993	902	1993
Electrostatic energy and macromolecular function A Warshel, J Aqvist Annual review of biophysics and biophysical chemistry 20 (1), 267-298, 1991	499	1991
Ion permeation mechanism of the potassium channel J Åqvist, V Luzhkov Nature 404 (6780), 881-884, 2000	479	2000
Ligand binding affinity prediction by linear interaction energy methods T Hansson, J Marelius, J Åqvist Journal of computer-aided molecular design 12 (1), 27-35, 1998	463	1998
The three‐dimensional structure of retinol‐binding protein. ME Newcomer, TA Jones, J Aqvist, J Sundelin, U Eriksson, L Rask, ... The EMBO journal 3 (7), 1451-1454, 1984	443	1984
Ligand binding affinities from MD simulations J Åqvist, VB Luzhkov, BO Brandsdal Accounts of chemical research 35 (6), 358-365, 2002	370	2002
Q: a molecular dynamics program for free energy calculations and empirical valence bond simulations in biomolecular systems J Marelius, K Kolmodin, I Feierberg, J Åqvist Journal of Molecular Graphics and Modelling 16 (4-6), 213-225, 1998	312	1998
On the validity of electrostatic linear response in polar solvents J Åqvist, T Hansson The Journal of Physical Chemistry 100 (22), 9512-9521, 1996	306	1996
Free energy calculations and ligand binding BO Brandsdal, F Österberg, M Almlöf, I Feierberg, VB Luzhkov, J Åqvist Advances in protein chemistry 66, 123-158, 2003	239	2003
Dipoles localized at helix termini of proteins stabilize charges J Aqvist, H Luecke, FA Quiocho, A Warshel Proceedings of the National Academy of Sciences 88 (5), 2026-2030, 1991	228	1991
Mechanism of peptide bond synthesis on the ribosome S Trobro, J Åqvist Proceedings of the National Academy of Sciences 102 (35), 12395-12400, 2005	200	2005
The linear interaction energy method for predicting ligand binding free energies J Aqvist, J Marelius Combinatorial chemistry & high throughput screening 4 (8), 613-626, 2001	186	2001
Mechanistic alternatives in phosphate monoester hydrolysis: what conclusions can be drawn from available experimental data? J Åqvist, K Kolmodin, J Florian, A Warshel Chemistry & biology 6 (3), R71-R80, 1999	184	1999
Estimation of binding free energies for HIV proteinase inhibitors by molecular dynamics simulations T Hansson, J Åqvist Protein Engineering, Design and Selection 8 (11), 1137-1144, 1995	182	1995
Calculation of absolute binding free energies for charged ligands and effects of long‐range electrostatic interactions J ÅQvist Journal of computational chemistry 17 (14), 1587-1597, 1996	178	1996
Enzymes work by solvation substitution rather than by desolvation A Warshel, J Aqvist, S Creighton Proceedings of the National Academy of Sciences 86 (15), 5820-5824, 1989	174	1989
Cyclic HIV-1 protease inhibitors derived from mannitol: synthesis, inhibitory potencies, and computational predictions of binding affinities J Hultén, NM Bonham, U Nillroth, T Hansson, G Zuccarello, A Bouzide, ... Journal of medicinal chemistry 40 (6), 885-897, 1997	171	1997
Energetics of ion permeation through membrane channels. Solvation of Na+ by gramicidin A J Aqvist, A Warshel Biophysical journal 56 (1), 171-182, 1989	162	1989

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