Structural flexibility and disorder in functional materials

Andrew Goodwin

Quantum crystallography and spintronic materials

PIERO MACCHI

Time-resolved macromolecular crystallography: no longer a niche pursuit?

Arwen R Pearson

Introduction to session

Jan Pieter Abrahams, Jiří Nováček

Structural basis of SARS-CoV-2 translational shutdown and programmed ribosomal frameshifting

Nenad Ban

Home source for cryo-EM

Dimple Karia, Adrian Koh, Zuzana Hlavenkova, Milos Malinsky, Vojtech Dolezal, Alevtyna Yakushevska, Lingbo Yu, Abhay Kotecha

High-resolution structures of immature and chimeric flaviviruses reveal key features redefining viral architecture and maturation

Joshua Hardy, Natalee Newton, Naphak Modhiran, Connor Scott, Hari Venugopal, Laura Vet, Paul Young, Roy Hall, Jody Hobson-Peters, Daniel Watterson, Fasseli Coulibaly

Receptor induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating

Dominik Hrebík, Tibor Füzik, Mária Gondová, Lenka Šmerdová, Athanassios Adamopoulos, Ondrej Šedo, Zbyněk Zdráhal, Pavel Plevka

M. tuberculosis enolase: Crystal and Cryo-EM structures provide insights into 2-phosphoglycerate binding and catalysis

Mohammed Ahmad, Bhavya Jha, Sucharita Bose, Satish Tiwari, Abhisek Dwivedy, Richard Mariadasse, Ravikant Pal, Tanya Parish, J jayekanthan, Vinothkumar kutti Ragunath, Bichitra Kumar Biswal

Introduction to session

Mirham Czjzek

Adventures in heparan sulfate degradation

Liang Wu, Zachary Armstrong, Casper de Boer, Vincent Lit, Gijs Ruijgrok, Uri Barash, Ilanit Boyango, Neta Ilan, Israel Vlodavsky, Hermen S Overkleeft, Gideon J Davies

High-resolution structure and reaction cycle of Fatty Acid Photodecarboxylase: anatomy of a crime scene

Damien Sorigue, Kyprianos Hadjidemetriou, Stéphanie Blangy, Guillaume Gotthard, Pierre Legrand, Didier Nurizzo, Antoine Royant, Catherine Berthomieu, Martin Weik, Tatiana Domratcheva, Klaus Brettel, Martin Vos, Ilme Schlichting, Pavel Muller, Fred Beisson, Pascal Arnoux

Structural insights into the enzymatic mechanism of lytic polysaccharide monooxygenases

Flora Meilleur

Structural studies on a unique glucosamine kinase unveil a novel enzyme family

Jose Antonio Manso, Daniela Nunes Costa, Sandra Macedo Ribeiro, Nuno Empadinhas, Pedro Jose Barbosa Pereira

Biosynthesis of mycobacterial methylmannose polysaccharides requires a unique 1-O-methyltransferase specific for 3-O-methylated mannosides

Jorge Ripoll-Rozada, Mafalda Costa, José Antonio Manso, Ana Maranha, Vanessa Miranda, André Sequeira, Maria Rita Ventura, Sandra Macedo-Ribeiro, Nuno Empadinhas, Pedro José Barbosa Pereira

Time-resolved serial femtosecond crystallography on photoswitchable fluorescent proteins

Kyprianos Hadjidemetriou

Introduction to session

Kenneth D. M. Harris, Doris E. Braun

Preparation strategies and solid-state NMR characterization of supramolecular architectures based on halogen bonds, chalcogen bonds, and pnictogen bonds

David Bryce

Mechanochemical cocrystal formation: Insights into polymorph control

Franziska Emmerling

Pervasive approximate symmetry in organic P1 structures

Carolyn Pratt Brock

The Crystal Structure of Indomethacin Polymorph δ Solved by 3D Electron Diffraction

Molly Lightowler, Shuting Li, Xiao Ou, Xiaodong Zou, Ming Lu, Hongyi Xu

Analysis of the experimental parameters impacting Non-Photochemical Laser-Induced nucleation of glycine in water

Nada Bosnjaković-Pavlović, Bertrand Clair, Aziza Ikni, Wenjing Li, Sladjana Novaković, Pascale Gemeiner, Philippe Scouflaire, Anne Spasojević-de Biré

Photo-induced electron transfer in Pyrene-(CH₂)₂-N,N'-Dimethylaniline: Time-resolved pink Laue X-ray diffraction studies on crystalline polymorphs.

Krishnayan Basuroy, Jose de J. Velazquez-Garcia, Darina Storozhuk, Robert Henning, David J. Gosztola, Sreevidya Thekku Veedu, Simone Techert

Introduction to session

Gregory L McColm, Eden Delight Miro

Behind the curve: Generating and analysing nets and tessellations on periodic minimalsurfaces in their universal covering space

Martin Cramer Pedersen, Jacob J. K. Kirkensgaard, Stephen T. Hyde

Flat-branched semisimplicial complexes: a versatile tool for aperiodic solids

Pavel Kalugin, André Katz

Coordinated Colorings and their Chromatic Groups

Agatha Kristel M. Abila, Eduard C. Taganap, Ma. Louise Antonette N. De las Peñas

Advances in the application of magnetic and non-magnetic superspace-group symmetry

Branton J Campbell, Harold T Stokes

Magnetic modes compatible with the symmetry of crystals

Radoslaw Przenioslo, Piotr Fabrykiewicz, Izabela Sosnowska

Introduction to session

Pierre Bordet, Emil Bozin

Pair Distribution Function Analysis in Materials Science

Bo Brummerstedt Iversen

Recent developments in measuring and analysing large 3D volumes of scattering data to investigate the role of complex disorder on crystalline materials properties

Stephan Rosenkranz, Matthew J. Krogstad, Raymond Osborn

Extracting interface correlations from the pair distribution function of composite materials

Harry S Geddes, Henry D Hutchinson, Alex R Ha, Nicholas P Funnell, Andrew L Goodwin

Total scattering at grazing incidence to study real thin film systems at variable temperature

Ann-Christin Dippel, Olof Gutowski, Martin Roelsgaard, Bo B. Iversen, Marina Sturm, Martin v. Zimmermann

Magnetic pair distribution function analysis of antiferromagnetic semiconductor MnTe

Parke Kip Hamilton, Raju Baral, Jacob Christensen, Benjamin Frandsen

The local structure fingerprint of dual orbital degeneracy lifting in a strongly correlated electron system

Robert J. Koch, Ryan Sinclair, Marshall T. McDonnell, R. Yu, Milinda Abeykoon, Matt Tucker, Alexei M. Tsvelik, Simon J. L. Billinge, Haidong D. Zhou, Weiguo Yin, Emil S. Bozin

Introduction to session

Javier Sanchez-Benitez, Ovidiu Garlea

Magnetic Phase diagram of alpha-RuCl₃

Stephen Nagler, Christian Balz

Striping of orbital-order with charge-disorder in optimally doped manganites

Mark Senn

Formation and ordering of orbital molecules in AV₂O₄ spinels

A. J. Browne, J. P. Attfield

Perovzalates: a family of perovskite-related oxalates

Rebecca Clulow, Alasdair J. Bradford, Stephen L. Lee, Philip Lightfoot

Aurivillius oxyfluorides: nuclear and magnetic order and the role of the anion sublattice

Emma E. McCabe

Intermartensitic transformation between modulated structures in Heusler Ni-Mn-Ga(-Fe) single crystals

Oleg Heczko, Petr Veřtát, MIlan Klicpera, Oscar Fabelo, Ladislav Straka

Introduction to session

Simon Grabowsky, Jean-Michel Gillet

Formate-mediated Magnetic Superexchange in the Model Hybrid Perovskite [(CH₃)₂NH₂]Cu(HCOO)₃: Applicability criteria for the GKA rules

Rebecca Scatena, Piero Macchi, Roger D. Johnson

The Electric Field of ATP-Synthase

Jean-Nicolas Vigneau, Peyman Fahimi, Maximilian Ebert, Youji Cheng, Chérif F. Matta

Thermal stability of Glass forming Metal-Organic Framework: Role of metal-ligand bonding

Sounak Sarkar, Aref H. Mamakhel, Martin Bondesgaard, Hazel Reardon, Bo B. Iversen, Hidetaka Kasai, Eiji Nishibori

Chemical bonding origin of the thermoelectric power factor in Half-Heusler semiconductors

Kasper Tolborg

Towards the measurement of bonding electron densities in nanostructured materials

Philip NH Nakashima, Xiaofen Tan, Ding Peng, Anna N Mortazavi, Laure Bourgeois, David R. Clarke

Towards accurate positions of hydrogen atoms bonded to heavy metal atoms

Magdalena Woinska, Michal Chodkiewicz, Sylwia Pawledzio, Krzysztof Wozniak

Introduction to session

Ian Robinson, Christian Gutt

Molecular movies with X-ray photon correlation spectroscopy

Fivos Perakis

Visualizing the effect additives have on the nanostructure of individual bio-inspired calcite crystal

Johannes Ihli, Yi-Yeoun Kim, Mark Levenstein, Yin Ning, Klaus Wakonig, Mirko Holler, Steven Armes, Ross Harder, Ian Robinson, Fiona Meldrum

Cateretê: The Coherent X-ray Scattering Beamline at the 4^th generation synchrotron facility SIRIUS

Florian Meneau, Aline R Passos, Paulo RAF Garcia, Paloma Vinaches, Lais B Manoel, Tiago A Kalile, João P Zerba, Gustavo LMP Rodrigues, Eduardo Miqueles, Giovanni Baraldi, Jean Polli, Bernd C Meyer, Sergio AL Luiz, Carla Polo

Burning cups and donuts: what coherent X-rays can reveal about topological defects

Dmitry Karpov, Justin Llandro, Edwin Fohtung

Coherent diffraction imaging at space-group forbidden reflections

Guillaume Beutier, Joel Eymery, Maxime Dupraz, Marie-Ingrid Richard, Alexis Wartelle, Marc Verdier, Marc de Boissieu, Steven P. Collins, Ewen Bellec, Vincent Favre-Nicolin, Steven Leake

Machine Leaning approach to the phase problem in Bragg Coherent Diffraction Imaging

Ian Robinson

Introduction to session

Eugene Krissinel, Christian Bertram Hübschle

Symmetry database of International Tables online

Eli Kroumova, Gemma de la Flor Martin, Nicola J. Ashcroft, Mois Ilia Aroyo

Macromolecular Model Building Over the Web

Victor S. Lamzin, Egor Sobolev, Philipp Heuser

Live monitoring onsite, remote and unattended data collection on synchrotron MX beamlines

David Aragao, Elliot Nelson

Introduction to invariant-based machine learning for periodic crystals

Vitaliy Kurlin, Jakob Ropers, Marco M Mosca, Olga Anosova

Solving Macromolecular Structures Online with CCP4

Ville Uski, Eugene Krissinel, Charles Ballard, Andrey Lebedev, Ronan Keegan

eSPC, an Online Data Analysis Platform for Molecular Biophysics

Maria m. Garcia Alai

The data universe of structural biology

Helen Berman

Structure-guided design of next-generation malaria vaccine

Jean-Philippe Julien

Targeting COVID-19 Viral Enzymes in an Evolving Landscape of Publishing and Peer Review

James Fraser

Poster session abstracts

Radomír Kužel

MyD88 TIR domain higher-order assembly interactions revealed by serial femtosecond crystallography

Susannah Holmes, Max T. B. Clabbers, Timothy W. Muusse, Parimala R. Vajjhala, Sara J. Thygesen, Alpeshkumar K. Malde, Dominic J. B. Hunter, Tristan I. Croll, Leonie Flueckiger, Jeffrey D. Nanson, Md. Habibur Rahaman, Andrew Aquila, Mark S. Hunter, Mengning Liang, Chun Hong Yoon, Jingjing Zhao, Nadia A. Zatsepin, Brian Abbey, Emma Sierecki, Yann Gambin, Katryn J. Stacey, Connie Darmanin, Bostjan Kobe, Hongyi Xu, Thomas Ve

Crystal structure of atypical ubiquitin ligase PCAF_N

Sachiko TOMA-FUKAI, Ryota HIBI, Takao NAGANUMA, Mashito SAKAI, Shinya SAIJO, Nobutaka SHIMIZU, Michihiro MATSUMOTO, Toshiyuki SHIMIZU

Structural characterization of seven-bladed beta-propeller lectin family from Photorhabdus laumondii

Eva Fujdiarova, Josef Houser, Filip Melicher, Michaela Wimmerová

Structural study of the inhibitory mechanism of tau recognition antibody to tau aggregation

Tomohiro Tsuchida, Takahiro Tsuchiya, Katsushiro Miyamoto, Shinji Takai, Teruo Ueno, Yoshihiko Fujioka, Yasuko In, Katsuhiko Minoura, Taizo Taniguchi, Koji Tomoo

Molecular-biology and structural study of Avian orthoreovirus non-structural proteins

Barbora Kaščáková, Zdenek Franta, Zdeno Gardian, Ivana Kutá Smatanová, Roman Tůma

Surface Layer Proteins of Lactobacillus acidophilus - A Story of SlpA and SlpX

Theo Sagmeister, Markus Eder, Christoph Grininger, Christoph Buhlheller, Đjenana Vejzović, Andela Đordić, Elisabeth Damisch, Claudia Millán, Isabel Usón, Tea Pavkov-Keller

Structural characterization of the PTG and PTG/PP1 complex

Marta Stefania Semrau, Graziano Lolli, Paola Storici, Gabriele Giachin, Sonia Covaceuszach

OrfG, a VirB8-like protein encoded by an integrative and conjugative element in S. thermophilus, has a trimeric architecture with intertwined subunits that may be involved in the Gram-positive Conj-T4SS.

Julien Cappele, Badreddine Douzi, Sandrine Mathiot, Nathalie Leblond-Bourget, Claude Didierjean, Frédérique Favier

A solution-free crystal-mounting platform for native SAD

Jian Yu, Akira Shinoda, Koji Kato, Isao Tanaka, Toyoyuki Ose, Min Yao

Structural insights into the phlorotannin binding of EHEP and akuBGL for producing biofuel from brown algae

xiaomei sun, Yuxin Ye, Naofumi Sakurai, Koji Kato, Jian Yu, Keizo Yuasa, Akihiko Tsuji, Min Yao

Structural studies of C-reactive Protein

Stacey Marie Collister, William Neale, Jamie Littlejohn, Trevor Greenhough, Annette Shrive

Structural studies of bacterial small alarmone hydrolases

Adriana Chrenková, Francesco Bisiak, Ditlev Egeskov Brodersen

Investigation of possible tolerance mutations in a VapBC Toxin-Antitoxin system through structure determination

Maria Raadkjær Nielsen, Ditlev Egeskov Brodersen

Investigations on Vibrio cholerae sensory regulator ToxR

Nina Gubensäk, Gabriel E. Wagner, Evelyne Schrank, Fabio S. Falsone, Tamara Margot Ismael Berger, Joachim Reidl, Klaus Zangger, Tea Pavkov-Keller

FAD-dependent oxidoreductase from Chaetomium thermophilum: Crystallographic fragment screening-based identification of putative substrates

Leona Švecová, Lars Henrik Østergaard, Tereza Skálová, Tomáš Kovaľ, Jan Dohnálek

Structure-assisted design of inhibitors of CA IX enzyme based on polyhedral boron compounds

Jiří Brynda, Michael Kugler, Jan Nekvinda, Josef Holub, Suzan El Anwar, Wiswanath Das, Václav Šícha, Klára Pospíšilová, Milan Fábry, Vlastimil Král, Petr Pachl, Marián Hajdůch, Bohumír Grüner, Pavlína Řezáčová

Understanding the structural and functional aspects of a novel Mg²⁺-citrate-binding protein

Suraj Kumar Mandal, Shankar Prasad Kanaujia

MlaC represents a unique class of solute-binding proteins

Angshu Dutta, Shankar Prasad Kanaujia

Evolutionary upgrade of stefins for secretion in parasites

Michal Buša, Zuzana Matoušková, Pavlína Řezáčová, Pavla Sojková-Bartošová, Martin Horn, Saša Štefanič, Michael Mareš

Light-induced oligomerization of the transcription factor EL222

Aditya S. Chaudhari, Edel Cunill Semanat, Anne Martel, Bohdan Schneider, Gustavo Fuertes

Poster session abstracts

Radomír Kužel

Structural analysis of transcription related complexes and operation of 200kV cryo-EM in KEK

Naruhiko Adachi, Masato Kawasaki, Toshio Moriya, Akira Shinoda, Yusuke Yamada, Toshiya Senda

SAMase of bacteriophage T3 inactivates E. coli’s methionine Sadenosyltransferase by forming hetero-polymers

Hadas Simon-Baram, Daniel Kleiner, Fannia Shmulevich, Raz Zarivach, Ran Zalk, Huayuan Tang, Feng Ding, Shimon Bershtein

Reciprocal space refinement and map calculation for cryo-EM single particle structures

Keitaro Yamashita, Rangana Warshamanage, Garib N. Murshudov

Cryo-EM structure of a functional monomeric Photosystem I from Thermosynechococcus elongatus reveals red chlorophyll cluster

Christoph Gerle, Orkun Coruh, Anna Frank, Hideaki Tanaka, Akihiro Kawamoto, Eithar El-Mohsnawy, Takayuki Kato, Keiichi Namba, Marc Nowaczyk, Genji Kurisu

Structural Comparation of heterotrimer PCNA from Crenarchaeon Aeropyrum pernix by solution scattering, Cryo-EM, and Crystallography

Takahiro Yamauchi, Tsubasa Takemori, Makiko Kikuchi, Yasuhito Iizuka, Satoshi Ishikawa, Masaru Tsunoda

Structural analysis of a tetradecameric HSP100 chaperone by cryo-EM and SAXS

Hyunwoo Cho, Gyuhee Kim, Sangho Lee

Developments in Advanced Handling, Storage, Transport, and Tracking of Cryo-EM Samples

Benjamin Apker, David Closs, Robert Thorne, Rich Jayne

Cryo-electron tomography study of detonation nanodiamonds hydrosols

Alexey A. Mikhutkin, Roman A. Kamyshinsky, Nikita M. Kuznetsov, Sergei N. Chvalun, Alexander L. Vasiliev

Poster session abstracts

Radomír Kužel

New salts of levofloxacin with physiochemical, structural and biological Insights

Mayank Joshi, Indu Verma, Aakanksha Gulati, Susmita Rani, Chesta Budhwar, Kaisar Raza, Arunika Mukhopadhaya, Angshuman Roy Choudhury

Pharmaceutical cocrystallization: polymorphs, salts and cocrystals

Angshuman Roy Choudhury, Maheswararao karanam, Mayank Joshi, Indu Verma, Aakanksha Gulati, Chesta Budhwar, Sushmita Rani, Aanchal Bhalla, Pooja Garg, Arunika Mukhopadhyay, Kaiser Raza, Dev Sagarika

3D Electron diffraction for the discovery of new crystal forms of APIs

Arianna E. Lanza, Jason Potticary, Charlie Hall, Victoria Hamilton, Simon R. Hall, Gustavo Santiso-Quinones, Gunther Steinfeld, Eric Hovestreydt

Crystal growth and optical study of thalidomide

Mizuki Kira, Koichi Tsutao, Kun Zhang, Yukana Terasawa, Norio Shibata, Toru Asahi

Syntesis and charachterization of metallo-drugs with potential use for overweight treatment

Richard Fernando DVries, Stephanny Villamizar-Delgado, Octavio Piñeros, Javier Ellena

Effect of grinding procedures on the ritonavir-lopinavir system

Lucas B. M. Pinheiro, Elizabeth Culbertson, Gabriel L. B. de Araujo, Simon Billinge, Fabio Furlan Ferreira

Chaperone Compounds for Co-crystallization of Organics

Fabian Rami, Tobias Stuerzer, Clemens Richert, Martin Adam

The "Molecular Grabber" method: Development of another crystalline sponge New idea for structure analysis of compounds using protein

Takashi Matsumoto, Akihito Yamano, Ryosuke Nakashima, Kunihiko Nishino

An unexpected and unusually complex Co-Mefenamate with nine octahedrally coordinated crystallographically independent cobalt atoms obtained at room temperature

Graciela C. Díaz de Delgado, Manuel E. Vivas-Arellano, Robert A. Toro Hernández, José Antonio Henao Martínez, José Miguel Delgado Quiñones

Nitroxide with diphenylphosphino moiety: synthesis, supramolecular structure, biology and catalysis

Attila Csaba Benyei, Mostafa Isbera, Balázs Bognár, Ferenc Gallyas, József Jekő, Tamás Kálai

New forms of pharmaceutical co-crystals of gefitinib with resorcinol

Parimaladevi Palanisamy

Study in the Solid State, Framework Energy and Crystal Structure by X-Ray Diffraction Techniques of Cetirizine and Levocetirizine Dihydrochloride Used as an Antihistamines

Angie Paola Tamayo Carreño, Robert Antonio Toro Hernández, José Antonio Henao Martínez

Influence of guest lattice solvents on nanomechanical properties of pharmaceutical crystalline solids

Subhrajyoti Bhandary, Pradip Kumar Mondal, S. R. N. Kiran Mangalampalli, Upadrasta Ramamurty, Deepak Chopra

Photoswitchable dismantlers of biomaterials made of amyloid fibrils.

Przemyslaw Kozminski, Krzysztof Lyczko, Zuzana Bednarikova, Zuzana Gazova, Imola Wilhelm, Istvan Krizbai, Grzegorz Wieczorek, Dorota Niedzialek

Poster session abstracts

Radomír Kužel

Importance of Polymorphism in Improving the Potency of Bioactive Molecules

ANIL KUMAR, Jyoti Chauhan, Kshatresh Dutta Dubey, Subhabrata Sen, Parthapratim Munshi*

Tunable temperature of reversible phase transitions in a series of heterometallic carboxylate complexes with CaZn₂-backbone

Stanislav Nikolaevich Melnikov, Stanislav Alexandrovich Nikolaevskii, Mikhail Alexandrovich Kiskin, Igor Leonidovich Eremenko

Structural analysis, Ferroelectric and dielectric properties of single component organic multifunctional materials

REKHA KUMARI, T. N. Guru Row

Stacking differences and similarities between a new and two old lapachol polymorphs

Natasha Di Benedetto, Miguel Ángel Martínez-Cabrera, Mario Alberto Macías, Javier Enrique Barúa, Leopoldo Suescun

Synthesis & crystallographic, spectroscopic and computational characterization of O-R substituents effects on the torsional angle of 3,3',4,4' substituted biphenyls

Nahir Vadra, Leonardo D. Slep, Veronica E. Manzano, Emilia B. Halac, Ricardo F. Baggio, Sebastian A. Suarez, Fabio D. Cukiernik

A difficult art of crystallizing and characterizing elusive polymorphs of meloxicam

Justyna Śniechowska, Piotr Paluch, Marta K. Dudek

The phenomenon of polymorphism within the stereoatomic model of crystal structures

Anton V. Savchenkov, Viktor N. Serezhkin

Crystal and molecular structures of small-molecule solids solved with the free-distribution software PSSP and WinPSSP

Silvina Pagola, Alekos Polymeros, Nikolaous Kourkoumelis

Influence of the Lewis basicity hardness of recrystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)₂].

Andrés Felipe Pérez, Daniela Fonseca, John Jady Hurtado, Mario Alberto Macías

Determination of the crystal structure of magnesium stearate hydrate using micrometre size single crystals

Toms Rekis, Mikkel Herzberg, Anders Støttrup Larsen, Ana Gonzalez, Jukka Rantanen, Anders Østergaard Madsen

Poster session abstracts

Radomír Kužel

How flexible is the water molecule structure? Cambridge Structural Database and ab initio calculations study.

Milan R. Milovanović, Jelena M. Živković, Dragan B. Ninković, Ivana M. Stanković, Snežana D. Zarić

Crystallographic and Computational Electron Density of d_x2-y2 Orbitals of Azo-Schiff Base Metal Complexes Using Conventional Programs

Yuji Takiguchi, Takashiro Akitsu

EVIDENCE OF STRONG HYDROGEN BONDING IN CRYSTAL STRUCTURES OF TRANSITION METAL COMPLEXES

Danijela S. Kretić, Dušan Ž. Veljković, Snežana D. Zarić

Computational analysis of intermolecular interactions in a crystal with structural phase transitions

Daisuke Takagi, Toru Asahi, Takuya Taniguchi

The benefit and challenges of non-spherical refinements – NoSpherA2

Florian Kleemiss, Simon Grabowsky, Oleg V. Dolomanov, Horst Puschmann, Michael Bodensteiner

Charge density distribution of API in crystals and ligand-receptor complexes

Alexander A. Korlyukov, Anna V. Vologzhanina, Adam I. Stash, Krzystof Wozniak

Intermolecular interaction analysis from SCXRD and their relationship with observed properties in potential pharmaceuticals

Natalia Alvarez, Antonio José Costa-Filho, Javier Ellena, Gianella Facchin

Three-Dimensional topological analysis of the experimental and theoretical electron density of a 5-Fluorocytosine/Isoniazid cocrystal

Adilson Barros Wanderley, Juan Carlos Tenorio, Ihosvany Camps, Christian W. Lehmann, Javier Ellena

Quantum crystallography, spectroscopic methods, and hot stage microscopy in the study of chromic multicomponent materials

Marlena Gryl, Marcin Kozieł, Klaudia Nowakowska, Katarzyna Ostrowska

QM/MM-based charge density analysis of protein-ligand complexes: Towards medicinal chemistry and drug design perspective

Saravanan Kandasamy

Experimental and theoretical charge density study of two tetranuclear transition metal clusters with single molecule magnet properties

Sofie Stampe Leiszner, Emil Damgaard-Møller, Lennard Krause, Khetpakorn Chakarawet, Jeffrey R. Long, Jacob Overgaard

Understanding the Proton Tautomerism Mechanism in Organic Molecular Ferroelectrics: Insights from Quantum Crystallography

Parthapratim Munshi, Sanjay Dutta, Anil Kumar

Charge Density Studies of in-situ Crystallized Liquids with Hirshfeld Atom Refinement, Invariom-Model and Multipole-Model

Michael Peter Patzer

Poster session abstracts

Radomír Kužel

Ptychographically-assisted X-ray fluorescence nanotomography for characterization of complex materials

Dmitry Karpov, Mirko Holler, Dario Ferreira Sanchez, Ana Diaz

Coherent X-ray imaging at ID16A: status and plans

Dmitry Karpov, Federico Monaco, Sylvain Bohic, Murielle Salome, Vincent Favre-Nicolin, Alexandra Teodora Joita Pacureanu, Peter Cloetens

Toward dynamic ptychography using a spatiotemporal overlap constraint

Gerard Neale Hinsley, Grant van Riessen, Cameron M Kewish

Coherent X-ray diffraction imaging to investigate structure and morphological evolution of calcium carbonate microparticles

Daniyal Younas, Fredrik Kristoffer Mürer, Seniz Ucar, Yuriy Chushkin, Federico Zontone, Alain Gibaud, Dag Werner Breiby, Basab Chattopadhyay

Super-resolution X-ray holography

Jakob Soltau, Malte Vassholz, Markus Osterhoff, Tim Salditt

Diffraction imaging and tomography investigations on the hydration of gypsum plaster

Michela La Bella, Rogier Besselink, Alexander E. S. Van Driessche, Jonathan P. Wright, Carlotta Giacobbe, Alejandro Fernandez-Martinez

Grazing-incidence small angle X-ray photoncorrelation spectroscopy: limitations and opportunities

Christopher Reiner Greve, Meike Kuhn, Fabian Eller, Michael Andreas Buchhorn, Kumar Dinesh, Alexander Hexemer, Guillaume Freychet, Lutz Wiegart, Eva M. Herzig

Development and improvement of Bragg coherent diffraction imaging for expanding observable particle-size range

Norihiro Oshime, Kenji Ohwada, Kento Sugawara, Tetsuro Ueno, Akihiko Machida, Kenji Ishii, Hidenori Toyokawa, Yoshihiro Kuroiwa

Wavefield Characterisation of MHz XFEL Pulses

Trey Wilson Guest, Brian Abbey, Adrian Mancuso, David Paganin, Richard Bean, Grant van Riessen

Ptychographic image reconstruction using total variation regularization

Ricarda Nebling, Iacopo Mochi, Hyun-su Kim, Atoosa Dejkameh, Tao Shen, Manuel Guizar-Sicairos, Yasin Ekinci