JuLib | Articles & more

1

Journal Article

Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals

Bruce, Neil J.
2019

PLoS Computational Biology, 15 (2019) 10, S. e1007382 -

OpenAccess OpenAccess

2

Journal Article

Exhaustive Search of Ligand Binding Pathways via Volume-Based Metadynamics

Capelli, Riccardo
2019

The journal of physical chemistry letters, 10 (2019) 12, S. 3495 - 3499

Published on 2019-06-03. Available in OpenAccess from 2020-06-03. Published on 2019-06-03. Available in OpenAccess from 2020-06-03. Restricted Published on 2019-06-03. Available in OpenAccess from 2020-06-03. Published on 2019-06-03. Available in OpenAccess from 2020-06-03. Restricted

3

Journal Article

Chasing the Full Free Energy Landscape of Neuroreceptor/Ligand Unbinding by Metadynamics Simulations

Capelli, Riccardo
2019

Journal of chemical theory and computation, 15 (2019) 5, S. 3354 - 3361

Restricted Published on 2019-03-26. Available in OpenAccess from 2020-03-26. Restricted Published on 2019-03-26. Available in OpenAccess from 2020-03-26.

4

Journal Article

Orthosteric and benzodiazepine cavities of the α 1 β 2 γ 2 GABA A receptor: insights from experimentally validated in silico methods

Amundarain, María Julia
2019

Journal of biomolecular structure & dynamics, 37 (2019) 6, S. 1597 - 1615

5

Journal Article

GABA A receptor family: overview on structural characterization

Amundarain, María Julia
2019

Future medicinal chemistry, 11 (2019) 3, S. 229 - 245

6

Journal Article

Understanding Ligand Binding to G-Protein Coupled Receptors Using Multiscale Simulations

Alfonso-Prieto, Mercedes
2019

Frontiers in molecular biosciences, 6 (2019) S. 29

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7

Journal Article

Multiscale simulations on human Frizzled and Taste2 GPCRs

Alfonso-Prieto, Mercedes
2019

Current opinion in structural biology, 55 (2019) S. 8-16

OpenAccess

8

Journal Article

Dual binding mode of “bitter sugars” to their human bitter taste receptor target

Fierro, Fabrizio
2019

Scientific reports, 9 (2019) 1, S. 8437

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9

Journal Article

Open-Boundary Molecular Mechanics/Coarse-Grained Framework for Simulations of Low-Resolution G-Protein-Coupled Receptor–Ligand Complexes

Tarenzi, Thomas
2019

Journal of chemical theory and computation, 15 (2019) 3, S. 2101–2109

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10

Journal Article

A photoswitchable GABA receptor channel blocker

Maleeva, Galyna
2019

British journal of pharmacology, 176 (2019) 15, S. 2661-2677

OpenAccess OpenAccess

11

Journal Article

MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry

Olsen, Jógvan Magnus Haugaard
2019

Journal of chemical theory and computation, 15 (2019) 6, S. 3810 - 3823

Restricted Restricted Published on 2019-04-18. Available in OpenAccess from 2020-04-18. Published on 2019-04-18. Available in OpenAccess from 2020-04-18.