J Phys Chem B

ISSN	1520-5207
ISSN-L	1520-5207
IUID	32516bd37b95420195d1e88aae16f4ac
Modified	2020-11-27T13:12:54.695Z
Created	2018-12-05T09:16:33.042Z

Year 2024

PubMed DOI Crossref

Allosteric Cholesterol Site in Glycine Receptors Characterized through Molecular Simulations.

Jalalypour F, Howard RJ, Lindahl E

J Phys Chem B 128 (20) 4996-5007 [2024-05-23; online 2024-05-15]

Year 2023

PubMed DOI Crossref

Coevolution-Driven Method for Efficiently Simulating Conformational Changes in Proteins Reveals Molecular Details of Ligand Effects in the β2AR Receptor.

Mitrovic D, Chen Y, Marciniak A, Delemotte L

J Phys Chem B 127 (46) 9891-9904 [2023-11-23; online 2023-11-10]

Lucie Delemotte SciLifeLab Fellow

Year 2022

PubMed DOI Crossref

Influenza Virus Membrane Fusion Is Promoted by the Endosome-Resident Phospholipid Bis(monoacylglycero)phosphate.

Mannsverk S, Villamil Giraldo AM, Kasson PM

J Phys Chem B 126 (49) 10445-10451 [2022-12-15; online 2022-12-05]

PubMed DOI Crossref

Thermoadaptation in an Ancestral Diterpene Cyclase by Altered Loop Stability.

Hueting DA, Vanga SR, Syrén PO

J Phys Chem B 126 (21) 3809-3821 [2022-06-02; online 2022-05-18]

Year 2021

PubMed DOI Crossref

The N-terminal Helix-Turn-Helix Motif of Transcription Factors MarA and Rob Drives DNA Recognition.

Corbella M, Liao Q, Moreira C, ..., Kasson PM, Kamerlin SCL

J Phys Chem B 125 (25) 6791-6806 [2021-07-01; online 2021-06-17]

Year 2020

PubMed DOI Crossref

Molecular Structure of Sphingomyelin in Fluid Phase Bilayers Determined by the Joint Analysis of Small-Angle Neutron and X-ray Scattering Data.

Doktorova M, Kučerka N, Kinnun JJ, ..., Katsaras J, Heberle FA

J Phys Chem B 124 (25) 5186-5200 [2020-06-25; online 2020-06-16]

DDLS Fellow Milka Doktorova

PubMed DOI Crossref

Impact of Nanoscale Hindrances on the Relationship between Lipid Packing and Diffusion in Model Membranes.

Beckers D, Urbancic D, Sezgin E

J Phys Chem B 124 (8) 1487-1494 [2020-02-27; online 2020-02-18]

Erdinc Sezgin SciLifeLab Fellow

Year 2019

PubMed DOI Crossref

Long Time-Scale Atomistic Simulations of the Structure and Dynamics of Transcription Factor-DNA Recognition.

Liao Q, Lüking M, Krüger DM, ..., Kasson PM, Lynn Kamerlin SC

J Phys Chem B 123 (17) 3576-3590 [2019-05-02; online 2019-04-18]

SciLifeLab Fellow Sebastian Deindl

Year 2017

PubMed DOI Crossref

DNA Polymerase λ Active Site Favors a Mutagenic Mispair between the Enol Form of Deoxyguanosine Triphosphate Substrate and the Keto Form of Thymidine Template: A Free Energy Perturbation Study.

Maximoff SN, Kamerlin SCL, Florián J

J Phys Chem B 121 (33) 7813-7822 [2017-08-24; online 2017-08-14]

Affiliated researcher

PubMed DOI Crossref

Does Proton Conduction in the Voltage-Gated H+ Channel hHv1 Involve Grotthuss-Like Hopping via Acidic Residues?

van Keulen SC, Gianti E, Carnevale V, ..., Rothlisberger U, Delemotte L

J Phys Chem B 121 (15) 3340-3351 [2017-04-20; online 2016-11-18]

Affiliated researcher Lucie Delemotte SciLifeLab Fellow

Year 2016

PubMed DOI Crossref

Molecular Dynamics Simulation Study of Parallel Telomeric DNA Quadruplexes at Different Ionic Strengths: Evaluation of Water and Ion Models.

Rebič M, Laaksonen A, Šponer J, Uličný J, Mocci F

J Phys Chem B 120 (30) 7380-7391 [2016-08-04; online 2016-07-26]

Affiliated researcher

PubMed DOI Crossref

Atomistic Simulation of Protein Encapsulation in Metal-Organic Frameworks.

Zhang H, Lv Y, Tan T, van der Spoel D

J Phys Chem B 120 (3) 477-484 [2016-01-28; online 2016-01-15]

Affiliated researcher

Year 2015

PubMed DOI Crossref

Influence of antifreeze proteins on the ice/water interface.

Todde G, Hovmöller S, Laaksonen A

J Phys Chem B 119 (8) 3407-3413 [2015-02-26; online 2015-02-10]

PubMed DOI Crossref

Automatic GROMACS topology generation and comparisons of force fields for solvation free energy calculations.

Lundborg M, Lindahl E

J Phys Chem B 119 (3) 810-823 [2015-01-22; online 2014-11-07]

PubMed DOI Crossref

Multiscale simulations of human telomeric G-quadruplex DNA.

Rebič M, Mocci F, Laaksonen A, Uličný J

J Phys Chem B 119 (1) 105-113 [2015-01-08; online 2014-12-17]

Year 2014

PubMed DOI Crossref

Induced ice melting by the snow flea antifreeze protein from molecular dynamics simulations.

Todde G, Whitman C, Hovmöller S, Laaksonen A

J Phys Chem B 118 (47) 13527-13534 [2014-11-26; online 2014-11-12]

Year 2013

PubMed DOI Crossref

Modulated fluorescence of colloidal quantum dots embedded in a porous alumina membrane.

Xu H, Li L, Manneberg O, ..., Brismar H, Fu Y

J Phys Chem B 117 (45) 14151-14156 [2013-11-14; online 2013-10-31]

Year 2012

PubMed DOI Crossref

Molecular recognition in different environments: β-cyclodextrin dimer formation in organic solvents.

Zhang H, Tan T, Feng W, van der Spoel D

J Phys Chem B 116 (42) 12684-12693 [2012-10-25; online 2012-10-11]