Results 11 to 20 of about 1,518,966 (331)

GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation [PDF]

International Conference on Learning Representations, 2022
Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machine learning approaches, especially with deep generative models.
Minkai Xu, Lantao Yu, Yang Song, Chence Shi, Stefano Ermon, Jian Tang   +5 more
semanticscholar   +1 more source

Effect of ECAP processing temperature on an austenitic TWIP steel's microstructure, texture and mechanical properties

Journal of Materials Research and Technology, 2023
The development of microstructure and texture of twinning-induced plasticity (TWIP) steel sheet during ECAP at two temperatures (250° and 350°) up to four passes were investigated.
Marcos Natan da Silva Lima, Samuel Filgueiras Rodrigues, Majid Al-Maharbi, Jessica Calvo Muñoz, José María Cabrera Marrero, Hamilton Ferreira Gomes de Abreu   +5 more
doaj   +1 more source

FRET-based dynamic structural biology: Challenges, perspectives and an appeal for open-science practices

eLife, 2021
Single-molecule FRET (smFRET) has become a mainstream technique for studying biomolecular structural dynamics. The rapid and wide adoption of smFRET experiments by an ever-increasing number of groups has generated significant progress in sample ...
Eitan Lerner, Anders Barth, Jelle Hendrix, Benjamin Ambrose, Victoria Birkedal, Scott C Blanchard, Richard Börner, Hoi Sung Chung, Thorben Cordes, Timothy D Craggs, Ashok A Deniz, Jiajie Diao, Jingyi Fei, Ruben L Gonzalez, Irina V Gopich, Taekjip Ha, Christian A Hanke, Gilad Haran, Nikos S Hatzakis, Sungchul Hohng, Seok-Cheol Hong, Thorsten Hugel, Antonino Ingargiola, Chirlmin Joo, Achillefs N Kapanidis, Harold D Kim, Ted Laurence, Nam Ki Lee, Tae-Hee Lee, Edward A Lemke, Emmanuel Margeat, Jens Michaelis, Xavier Michalet, Sua Myong, Daniel Nettels, Thomas-Otavio Peulen, Evelyn Ploetz, Yair Razvag, Nicole C Robb, Benjamin Schuler, Hamid Soleimaninejad, Chun Tang, Reza Vafabakhsh, Don C Lamb, Claus AM Seidel, Shimon Weiss   +45 more
doaj   +1 more source

Boosting of cross-reactive antibodies to endemic coronaviruses by SARS-CoV-2 infection but not vaccination with stabilized spike

eLife, 2022
Preexisting antibodies to endemic coronaviruses (CoV) that cross-react with SARS-CoV-2 have the potential to influence the antibody response to COVID-19 vaccination and infection for better or worse.
Andrew R Crowley, Harini Natarajan, Andrew P Hederman, Carly A Bobak, Joshua A Weiner, Wendy Wieland-Alter, Jiwon Lee, Evan M Bloch, Aaron AR Tobian, Andrew D Redd, Joel N Blankson, Dana Wolf, Tessa Goetghebuer, Arnaud Marchant, Ruth I Connor, Peter F Wright, Margaret E Ackerman   +16 more
doaj   +1 more source

Conformal Nets II: Conformal Blocks [PDF]

Communications in Mathematical Physics, 2017
Conformal nets provide a mathematical formalism for conformal field theory. Associated to a conformal net with finite index, we give a construction of the `bundle of conformal blocks', a representation of the mapping class groupoid of closed topological surfaces into the category of finite-dimensional projective Hilbert spaces.
Arthur Bartels, Christopher L. Douglas, André Henriques   +2 more
openaire   +5 more sources

Interaction of Chondroitin and Hyaluronan Glycosaminoglycans with Surfaces of Carboxylated Carbon Nanotubes Studied Using Molecular Dynamics Simulations

Molecules, 2023
Interaction of β-D-glucopyranuronic acid (GlcA), N-acetyl-β-D-glucosamine (GlcNAc), N-acetyl-β-D-galactosamine (GalNAc) and two natural decameric glycosaminoglycans, hyaluronic acid (HA) and Chondroitin (Ch) with carboxylated carbon nanotubes, were ...
Tomasz Panczyk, Wojciech Plazinski, François-Yves Dupradeau, Agnieszka Brzyska, Pawel Wolski   +4 more
doaj   +1 more source

Conformality Lost [PDF]

Crossing the Boundaries, 2009
We consider zero-temperature transitions from conformal to non-conformal phases in quantum theories. We argue that there are three generic mechanisms for the loss of conformality: (i) fixed point goes to zero coupling, (ii) fixed point runs off to infinite coupling, or (iii) an IR fixed point annihilates with a UV fixed point and they both disappear ...
Kaplan, D. B., Lee, J.-W., Son, D. T., Stephanov, M. A.   +3 more
openaire   +3 more sources

Quercetin 3, 3′, 4′, 5, 7-O- pentasulfate (QPS): A novel activator of protein disulfide isomerase

Medicine in Drug Discovery, 2020
Aims: Design and synthesis of a novel 3, 3′, 4′, 5, 7-O- pentasulfated Quercetin (QPS) as an activator of protein disulfide isomerase (PDI). Main Methods: Based on an in silico analysis we show that QPS binds to a and b domain of PDI (−7.4 kcal/mol ...
Abdul Burhan Khan, Neha Gupta, Qudsia Rashid, Irshad Ahmad, Shadabi Bano, Urfi Siddiqui, Mohammad Abid, Mohamad Aman Jairajpuri   +7 more
doaj   +1 more source

Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation

Science, 2020
Structure of the nCoV trimeric spike The World Health Organization has declared the outbreak of a novel coronavirus (2019-nCoV) to be a public health emergency of international concern.
D. Wrapp, Nianshuang Wang, Kizzmekia S. Corbett, J. Goldsmith, C. Hsieh, O. Abiona, B. Graham, J. McLellan   +7 more
semanticscholar   +1 more source

CONFORMAL HOUSE [PDF]

International Journal of Modern Physics A, 2010
We investigate the gauge dynamics of nonsupersymmetric SU (N) gauge theories featuring the simultaneous presence of fermionic matter transforming according to two distinct representations of the underlying gauge group. We bound the regions of flavors and colors which can yield a physical infrared fixed point.
Ryttov, Thomas Aaby, Sannino, Francesco
openaire   +5 more sources