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1579 Publications visible to you, out of a total of 1579

A Protocol to Use Comparative Binding Energy Analysis to Estimate Drug-Target Residence Time

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Gaurav K. Ganotra, Ariane Nunes-Alves, Rebecca C. Wade

Date Published: 2021

Publication Type: InBook

DOI: 10.1007/978-1-0716-1209-5_10

Citation: In "Protein-Ligand Interactions and Drug Design", Methods in Molecular Biology (MIMB), 2266:171-186

Created: 25th Mar 2021 at 11:08, Last updated: 5th Mar 2024 at 21:24

Symmetric Spaces for Graph Embeddings: A Finsler-Riemannian Approach

Natural Language Processing

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Abstract

Not specified

Authors: Federico López, Beatrice Pozzetti, Steve Trettel, Michael Strube, Anna Wienhard

Date Published: 2021

Publication Type: InProceedings

Citation: In Proceedings of the 38th International Conference on Machine Learning

Created: 12th May 2021 at 11:59, Last updated: 5th Mar 2024 at 21:24

Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations

Molecular and Cellular Modeling

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Abstract

Not specified

Authors: Ariane Nunes-Alves, Daria B. Kokh, Rebecca C. Wade

Date Published: 2021

Publication Type: Journal

DOI: 10.1016/j.crstbi.2021.04.001

Citation: Current Research in Structural Biology 3:106-111

Created: 14th May 2021 at 11:10, Last updated: 5th Mar 2024 at 21:24

First-Order Geometric Multilevel Optimization for Discrete Tomography

Astroinformatics

Abstract

Not specified

Authors: Jan Plier, Fabrizio Savarino, Michal Kočvara, Stefania Petra

Date Published: 2021

Publication Type: InProceedings

DOI: 10.1007/978-3-030-75549-2_16

Citation: Scale Space and Variational Methods in Computer Vision 12679:191-203,Springer International Publishing

Created: 5th Nov 2021 at 12:35, Last updated: 5th Mar 2024 at 21:24

Electrostatic interactions contribute to the control of intramolecular thiol–disulfide isomerization in a protein

Molecular Biomechanics

Abstract (Expand)

of structural factors and of electrostatic interactions with the environment on the outcome of thiol–disulfide exchange reactions were investigated in a mutated immunoglobulin domain (I27*) under …

Authors: Denis Maag, Marina Putzu, Claudia L. Gómez-Flores, Frauke Gräter, Marcus Elstner, Tomáš Kubař

Date Published: 2021

Publication Type: Journal

PubMed ID: 34792054

DOI: 10.1039/d1cp03129e

Citation: Phys Chem Chem Phys,23(46):26366-26375.

Created: 22nd Nov 2021 at 05:33, Last updated: 5th Mar 2024 at 21:24

Machine learning for total cloud cover prediction

Computational Statistics

Abstract

Not specified

Authors: Ágnes Baran, Sebastian Lerch, Mehrez El Ayari, Sándor Baran

Date Published: 2021

Publication Type: Journal

DOI: 10.1007/s00521-020-05139-4

Citation: Neural Computing and Applications, 33(7):2605–2620

Created: 10th Dec 2021 at 14:10, Last updated: 10th May 2024 at 12:20

Predictive inference based on Markov chain Monte Carlo output

Computational Statistics

Abstract

Not specified

Authors: Fabian Krüger, Sebastian Lerch, Thordis Thorarinsdottir, Tilmann Gneiting

Date Published: 2021

Publication Type: Journal

DOI: 10.1111/insr.12405

Citation: International Statistical Review, 89(2):274–301

Created: 13th Dec 2021 at 13:55, Last updated: 8th Mar 2024 at 14:01

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