Johan Åqvist

Cited by

	All	Since 2017
Citations	18094	4698
h-index	69	34
i10-index	184	116

960

480

240

720

198919901991199219931994199519961997199819992000200120022003200420052006200720082009201020112012201320142015201620172018201920202021202256 86 108 185 144 157 191 237 232 331 316 302 400 477 498 429 489 803 672 709 686 782 819 915 795 770 832 775 943 861 746 881 831 432

Public access

View all

70 articles

11 articles

available

not available

Based on funding mandates

Co-authors

Hugo Gutierrez-de-TeranAssociate Professor, Cell and molecular biology, Uppsala UniversityVerified email at icm.uu.se
Isabella FeierbergComputational chemist, AstraZenecaVerified email at better.se
Jens CarlssonProfessor, 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
Fernanda DuarteUniversity of OxfordVerified email at chem.ox.ac.uk
Måns EhrenbergCell and Molecular BiologyVerified email at icm.uu.se
Alexandre BarrozoPostdoctoral Fellow, Aix-Marseille UniversiteVerified email at tutanota.com
Dan LarhammarProfessor of Molecular Cell Biology, Uppsala UniversityVerified email at neuro.uu.se
Stefan David KnightUppsala University, Department of Cell and Molecular BiologyVerified email at icm.uu.se
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
Etienne DecrolyDR1 CNRS Aix Marseille universityVerified email at afmb.univ-mrs.fr
Torleif HärdProfessor of Structural Molecular Biology, SLU, UppsalaVerified email at slu.se
Michael LandrehAssistant Professor, Department of Microbiology, Tumor and Cell Biology, Karolinska InstitutetVerified email at ki.se
Vladimir TischenkoИнститут теоретической и экспериментальной биофизикиVerified email at vega.protres.ru
Yasmin ShamsudinStanford UniversityVerified email at stanford.edu
Eduardo HorjalesProfessor Doutor, Departamento de Física e Informática, Instituto de Física de São Carlos, Universidade de São PauloVerified email at ifsc.usp.br

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	1770	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	1342	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	969	1993
Electrostatic energy and macromolecular function A Warshel, J Aqvist Annual review of biophysics and biophysical chemistry 20, 267-298, 1991	527	1991
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	513	1984
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	510	1998
Ion permeation mechanism of the potassium channel J Åqvist, V Luzhkov Nature 404 (6780), 881-884, 2000	506	2000
Ligand binding affinities from MD simulations J Åqvist, VB Luzhkov, BO Brandsdal Accounts of chemical research 35 (6), 358-365, 2002	397	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	348	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	317	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	254	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	250	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	213	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	199	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	189	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	184	1995
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	181	1997
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	181	1989
Molecular dynamics simulations of water and biomolecules with a Monte Carlo constant pressure algorithm J Åqvist, P Wennerström, M Nervall, S Bjelic, BO Brandsdal Chemical physics letters 384 (4-6), 288-294, 2004	179	2004
Molecular dynamics simulations of water and biomolecules with a Monte Carlo constant pressure algorithm J Åqvist, P Wennerström, M Nervall, S Bjelic, BO Brandsdal Chemical physics letters 384 (4-6), 288-294, 2004	179	2004

The system can't perform the operation now. Try again later.

Articles 1–20

Citations per year

Duplicate citations

Merged citations

Add co-authorsCo-authors

Follow this author

Cited by

Co-authors