Kresten Lindorff-Larsen

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David E. ShawD. E. Shaw ResearchVerified email at deshaw.com
Stefano pianaResearch Fellow, DE Shaw ResearchVerified email at deshaw.com
Ron DrorStanford UniversityVerified email at stanford.edu
Amelie SteinAssociate Professor, University of CopenhagenVerified email at bio.ku.dk
Elena PapaleoDanish Cancer Society Research Center and Technical University of DenmarkVerified email at cancer.dk
Michele VendruscoloProfessor of Biophysics, University of CambridgeVerified email at cam.ac.uk
Yong WangZhejiang UniversityVerified email at zju.edu.cn
Wouter BoomsmaProfessor, Department of Computer Science, University of CopenhagenVerified email at di.ku.dk
Sandro BottaroPeptoneVerified email at peptone.io
Christopher DobsonUniversity of CambridgeVerified email at cam.ac.uk
Birthe B. KragelundProfessor of protein biophysics, University of CopenhagenVerified email at bio.ku.dk
Kristoffer Enøe JohanssonDepartment of Biology, University of CopenhagenVerified email at bio.ku.dk
Giulio TeseiAssistant Professor, University of CopenhagenVerified email at bio.ku.dk
Robert BestSenior Investigator, National Institutes of HealthVerified email at helix.nih.gov
Kaare TeilumDepartment of Biology, University of CopenhagenVerified email at bio.ku.dk
Jakob R. WintherLinderstøm-Lang Centre for Protein Science, Department of Biology, University of CopenhagenVerified email at bio.ku.dk
Sofie V NielsenPost doc, University of CopenhagenVerified email at ku.dk
Matteo CagiadaPostDoc, University of CopenhagenVerified email at bio.ku.dk
Lise ArlethProfessor in Experimental Biophysics, University of CopenhagenVerified email at nbi.ku.dk
Yibing ShanFounding member, D. E. Shaw ResearchVerified email at deshaw.com

Kresten Lindorff-Larsen

Linderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen

Verified email at bio.ku.dk

Protein Structure Protein Dynamics Biophysics Computational Biophysics Computational Biology


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Improved side‐chain torsion potentials for the Amber ff99SB protein force field K Lindorff‐Larsen, S Piana, K Palmo, P Maragakis, JL Klepeis, RO Dror, ... Proteins: Structure, Function, and Bioinformatics 78 (8), 1950-1958, 2010	5798	2010
How fast-folding proteins fold K Lindorff-Larsen, S Piana, RO Dror, DE Shaw Science 334 (6055), 517, 2011	2096	2011
Atomic-level characterization of the structural dynamics of proteins DE Shaw, P Maragakis, K Lindorff-Larsen, S Piana, RO Dror, ... Science 330 (6002), 341-346, 2010	2076	2010
Long-timescale molecular dynamics simulations of protein structure and function JL Klepeis, K Lindorff-Larsen, RO Dror, DE Shaw Current opinion in structural biology 19 (2), 120-127, 2009	945	2009
How robust are protein folding simulations with respect to force field parameterization? S Piana, K Lindorff-Larsen, DE Shaw Biophysical journal 100 (9), L47-L49, 2011	874	2011
Mapping long-range interactions in α-synuclein using spin-label NMR and ensemble molecular dynamics simulations MM Dedmon, K Lindorff-Larsen, J Christodoulou, M Vendruscolo, ... Journal of the American Chemical Society 127 (2), 476-477, 2005	833	2005
Simultaneous determination of protein structure and dynamics K Lindorff-Larsen, RB Best, MA DePristo, CM Dobson, M Vendruscolo Nature 433 (7022), 128-132, 2005	815	2005
Systematic validation of protein force fields against experimental data K Lindorff-Larsen, P Maragakis, S Piana, MP Eastwood, RO Dror, ... PloS one 7 (2), e32131, 2012	785	2012
Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019	744	2019
Millisecond-scale molecular dynamics simulations on Anton DE Shaw, RO Dror, JK Salmon, JP Grossman, KM Mackenzie, JA Bank, ... Proceedings of the conference on high performance computing networking …, 2009	692	2009
A structural biology community assessment of AlphaFold2 applications M Akdel, DEV Pires, EP Pardo, J Jänes, AO Zalevsky, B Mészáros, ... Nature Structural & Molecular Biology, 1-12, 2022	427	2022
The role of protein loops and linkers in conformational dynamics and allostery E Papaleo, G Saladino, M Lambrughi, K Lindorff-Larsen, FL Gervasio, ... Chemical reviews 116 (11), 6391-6423, 2016	386	2016
Principles of conduction and hydrophobic gating in K+ channels MØ Jensen, DW Borhani, K Lindorff-Larsen, P Maragakis, V Jogini, ... Proceedings of the National Academy of Sciences 107 (13), 5833-5838, 2010	376	2010
Atomic-level description of ubiquitin folding S Piana, K Lindorff-Larsen, DE Shaw Proceedings of the National Academy of Sciences 110 (15), 5915-5920, 2013	367	2013
Cancer mutations of the tumor suppressor SPOP disrupt the formation of active, phase-separated compartments JJ Bouchard, JH Otero, DC Scott, E Szulc, EW Martin, N Sabri, D Granata, ... Molecular cell 72 (1), 19-36. e8, 2018	334	2018
Protein folding kinetics and thermodynamics from atomistic simulation S Piana, K Lindorff-Larsen, DE Shaw Proceedings of the National Academy of Sciences 109 (44), 17845-17850, 2012	330	2012
Structure and dynamics of an unfolded protein examined by molecular dynamics simulation K Lindorff-Larsen, N Trbovic, P Maragakis, S Piana, DE Shaw Journal of the American Chemical Society 134 (8), 3787-3791, 2012	287	2012
Biophysical experiments and biomolecular simulations: A perfect match? S Bottaro, K Lindorff-Larsen Science 361 (6400), 355-360, 2018	257	2018
Microsecond molecular dynamics simulation shows effect of slow loop dynamics on backbone amide order parameters of proteins P Maragakis, K Lindorff-Larsen, MP Eastwood, RO Dror, JL Klepeis, ... The Journal of Physical Chemistry B 112 (19), 6155-6158, 2008	242	2008
Combining experiments and simulations using the maximum entropy principle W Boomsma, J Ferkinghoff-Borg, K Lindorff-Larsen PLoS computational biology 10 (2), e1003406, 2014	198	2014

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