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Spatial and temporal patterns of shoreline change of a 280-km high-energy disrupted sandy coast from 1950 to 2014: SW France

Estuarine, coastal and shelf science, 2018-01, Vol.200, p.212-223

2018

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CHARDI2015: charge distribution analysis of non-molecular structures

Journal of applied crystallography, 2016-02, Vol.49 (1), p.317-321

2016

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Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability

Journal of chemical theory and computation, 2016-03, Vol.12 (3), p.1052-1067

2016

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Monitoring the Topography of a Dynamic Tidal Inlet Using UAV Imagery

Remote sensing (Basel, Switzerland), 2016-05, Vol.8 (5), p.387-387

2016

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Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability

Journal of chemical theory and computation, 2016-03, Vol.12 (3), p.1068-1081

2016

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Polarization of Electron Density Databases of Transferable Multipolar Atoms

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-08, Vol.123 (32), p.7156-7170

2019

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Elucidation of the Phosphate Binding Mode of DING Proteins Revealed by Subangstrom X-ray Crystallography

Journal of the American Chemical Society, 2009-06, Vol.131 (22), p.7879-7886

2009

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Probing the Electronic Properties and Interaction Landscapes in a Series of N‑(Chlorophenyl)pyridinecarboxamides

Crystal growth & design, 2022-05, Vol.22 (5), p.3343-3358

2022

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An improved experimental databank of transferable multipolar atom models - ELMAM2. Construction details and applications

Acta crystallographica. Section A, Foundations and advances, 2012-05, Vol.68 (3), p.337-351

2012

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New Crystal Form of Human Neuropilin-1 b1 Fragment with Six Electrostatic Mutations Complexed with KDKPPR Peptide Ligand

Molecules (Basel, Switzerland), 2023-07, Vol.28 (14), p.5603

2023

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Advances in protein and small-molecule charge-density refinement methods using MoPro

Journal of applied crystallography, 2005-02, Vol.38 (1), p.38-54

2005

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Aceclofenac and interactions analysis in the crystal and COX protein active site

Journal of molecular structure, 2020-04, Vol.1205, p.127600, Article 127600

2020

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Electron density based analysis of N–H⋯OC hydrogen bonds and electrostatic interaction energies in high-resolution secondary protein structures: insights from quantum crystallographic approaches

CrystEngComm, 2020-07, Vol.22 (26), p.4363-4373

2020

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A rush to explore protein–ligand electrostatic interaction energy with Charger

Acta crystallographica. Section D, Biological crystallography., 2021-10, Vol.77 (10), p.1292-1304

2021

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Directional O...F halogen bonds

Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017-04, Vol.73 (Pt 2), p.136-137

2017

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Case of Charge-Assisted Hydrogen Bonding in the Crystal Structure of Sodium Laurate, Lauric Acid

Journal of chemical crystallography, 2023-03, Vol.53 (1), p.93-104

2023

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Charge Density and Electrostatic Interactions of Fidarestat, an Inhibitor of Human Aldose Reductase

Journal of the American Chemical Society, 2009-08, Vol.131 (31), p.10929-10941

2009

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Structural analysis and multipole modelling of quercetin monohydrate - a quantitative and comparative study

Acta crystallographica. Section B, Structural science, 2011-02, Vol.67 (1), p.63-78

2011

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Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis

Acta crystallographica. Section D, Biological crystallography., 2015-04, Vol.71 (4), p.954-968

2015

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A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules

Acta crystallographica. Section A, Foundations of crystallography, 2004-05, Vol.60 (3), p.204-208

2004

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On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures

Acta crystallographica. Section A, Foundations of crystallography, 2007-03, Vol.63 (2), p.108-125

2007

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A method to estimate statistical errors of properties derived from charge‐density modelling

Acta crystallographica. Section A, Foundations and advances, 2018-05, Vol.74 (3), p.170-183

2018

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At the Interface of Isomorphous Behavior in a 3 × 3 Isomer Grid of Monochlorobenzamides: Analyses of the Interaction Landscapes via Contact Enrichment Studies

Crystal growth & design, 2019-11, Vol.19 (11), p.6141-6158

2019

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Topological Analysis of Hydrogen Bonds and Weak Interactions in Protein Helices via Transferred Experimental Charge Density Parameters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-11, Vol.115 (45), p.12895-12904

2011

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Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case

Acta crystallographica. Section D, Biological crystallography., 2008-05, Vol.64 (5), p.567-588

2008

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Spatial and temporal patterns of shoreline change of a 280-km high-energy disrupted sandy coast from 1950 to 2014: SW France

CHARDI2015: charge distribution analysis of non-molecular structures

Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability

Monitoring the Topography of a Dynamic Tidal Inlet Using UAV Imagery

Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability

Polarization of Electron Density Databases of Transferable Multipolar Atoms

Elucidation of the Phosphate Binding Mode of DING Proteins Revealed by Subangstrom X-ray Crystallography

Probing the Electronic Properties and Interaction Landscapes in a Series of N‑(Chlorophenyl)pyridinecarboxamides

An improved experimental databank of transferable multipolar atom models - ELMAM2. Construction details and applications

New Crystal Form of Human Neuropilin-1 b1 Fragment with Six Electrostatic Mutations Complexed with KDKPPR Peptide Ligand

Advances in protein and small-molecule charge-density refinement methods using MoPro

Aceclofenac and interactions analysis in the crystal and COX protein active site

Electron density based analysis of N–H⋯OC hydrogen bonds and electrostatic interaction energies in high-resolution secondary protein structures: insights from quantum crystallographic approaches

A rush to explore protein–ligand electrostatic interaction energy with Charger

Directional O...F halogen bonds

Case of Charge-Assisted Hydrogen Bonding in the Crystal Structure of Sodium Laurate, Lauric Acid

Charge Density and Electrostatic Interactions of Fidarestat, an Inhibitor of Human Aldose Reductase

Structural analysis and multipole modelling of quercetin monohydrate - a quantitative and comparative study

Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis

A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules

On the application of an experimental multipolar pseudo-atom library for accurate refinement of small-molecule and protein crystal structures

A method to estimate statistical errors of properties derived from charge‐density modelling

At the Interface of Isomorphous Behavior in a 3 × 3 Isomer Grid of Monochlorobenzamides: Analyses of the Interaction Landscapes via Contact Enrichment Studies

Topological Analysis of Hydrogen Bonds and Weak Interactions in Protein Helices via Transferred Experimental Charge Density Parameters

Charge-density analysis of a protein structure at subatomic resolution: the human aldose reductase case

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