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SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome

Nature chemistry, 2021-07, Vol.13 (7), p.651

2021

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Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets

Nature communications, 2021-05, Vol.12 (1), p.3023-3023, Article 3023

2021

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Predicting locations of cryptic pockets from single protein structures using the PocketMiner graph neural network

Nature communications, 2023-03, Vol.14 (1), p.1177-1177, Article 1177

2023

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Conformational distributions of isolated myosin motor domains encode their mechanochemical properties

eLife, 2020-05, Vol.9

2020

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The Influence of Surface Texture of Elements Made of PA6-Based Composites on Anti-Graffiti Effect of Paint Coating

Materials, 2024-04, Vol.17 (9), p.1951

2024

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New Copper Alloys Used to Make Products Intended for Contact with Drinking Water

Materials, 2021-10, Vol.14 (21), p.6301

2021

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Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domains

eLife, 2023-01, Vol.12

2023

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Application of Neural Networks for Water Meter Body Assembly Process Optimization

Applied sciences, 2022-11, Vol.12 (21), p.11160

2022

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Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors

Frontiers in molecular biosciences, 2023-04, Vol.10, p.1171143-1171143

2023

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Characterizing blebbistatin pocket conformational dynamics with Markov state models

Biophysical journal, 2022-02, Vol.121 (3), p.260a-260a

2022

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Accelerating Cryptic Pocket Discovery Using AlphaFold

Journal of chemical theory and computation, 2023-07, Vol.19 (14), p.4355-4363

2023

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Left hemisphere structural connectivity abnormality in pediatric hydrocephalus patients following surgery

NeuroImage clinical, 2016-01, Vol.12 (C), p.631-639

2016

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Toward physics‐based precision medicine: Exploiting protein dynamics to design new therapeutics and interpret variants

Protein science, 2024-03, Vol.33 (3), p.e4902-n/a

2024

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Exploring the myosin active/auto-inhibited state equilibrium by Markov state modeling

Biophysical journal, 2022-02, Vol.121 (3), p.260a-261a

2022

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Signatures of allosteric modulator specificity are encoded in myosin motor domain equilibrium fluctuations

Biophysical journal, 2022-02, Vol.121 (3), p.259a-259a

2022

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Myosin Motors’ Kinetic Diversity is Encoded by the Conformational Dynamics of the Motor Domain

Biophysical journal, 2020-02, Vol.118 (3), p.434a-434a

2020

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Homologous mutations in human β, embryonic, and perinatal muscle myosins have divergent effects on molecular power generation

Proceedings of the National Academy of Sciences - PNAS, 2024-02, Vol.121 (9), p.e2315472121

2024

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Functional divergence of the sarcomeric myosin, MYH7b, supports species-specific biological roles

The Journal of biological chemistry, 2023-01, Vol.299 (1), p.102657-102657, Article 102657

2023

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Studies on a Robotised Process for Forging Steel Synchronizer Rings in the Context of Forging Tool Life

Manufacturing Technology, 2023-05, Vol.23 (1), p.88-98

2023

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Predicting the locations of cryptic pockets from single protein structures using the PocketMiner graph neural network

Biophysical journal, 2023-02, Vol.122 (3), p.445a-445a

2023

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Optimizing Shock Absorber Operation for Improved Hot Forging Efficiency

Manufacturing Technology, 2023-10, Vol.23 (5), p.663-669

2023

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Accuracy of Determining the Coordinates of Points Observed by Camera

Intelligent Robotics and Applications, p.273-284

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Use of KPI Indicators to Optimize Production Process Performance – Case Study

Distributed Computing and Artificial Intelligence, Special Sessions I, 20th International Conference, p.3-12

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Indicators of Hierarchical Structure Model of Supporting the Production Management Process – A Framework

Advances in Production, 2023, p.356-367

2023

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SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome

Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets

Predicting locations of cryptic pockets from single protein structures using the PocketMiner graph neural network

Conformational distributions of isolated myosin motor domains encode their mechanochemical properties

The Influence of Surface Texture of Elements Made of PA6-Based Composites on Anti-Graffiti Effect of Paint Coating

New Copper Alloys Used to Make Products Intended for Contact with Drinking Water

Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domains

Application of Neural Networks for Water Meter Body Assembly Process Optimization

Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors

Characterizing blebbistatin pocket conformational dynamics with Markov state models

Accelerating Cryptic Pocket Discovery Using AlphaFold

Left hemisphere structural connectivity abnormality in pediatric hydrocephalus patients following surgery

Toward physics‐based precision medicine: Exploiting protein dynamics to design new therapeutics and interpret variants

Exploring the myosin active/auto-inhibited state equilibrium by Markov state modeling

Signatures of allosteric modulator specificity are encoded in myosin motor domain equilibrium fluctuations

Myosin Motors’ Kinetic Diversity is Encoded by the Conformational Dynamics of the Motor Domain

Homologous mutations in human β, embryonic, and perinatal muscle myosins have divergent effects on molecular power generation

Functional divergence of the sarcomeric myosin, MYH7b, supports species-specific biological roles

Studies on a Robotised Process for Forging Steel Synchronizer Rings in the Context of Forging Tool Life

Predicting the locations of cryptic pockets from single protein structures using the PocketMiner graph neural network

Optimizing Shock Absorber Operation for Improved Hot Forging Efficiency

Accuracy of Determining the Coordinates of Points Observed by Camera

Use of KPI Indicators to Optimize Production Process Performance – Case Study

Indicators of Hierarchical Structure Model of Supporting the Production Management Process – A Framework

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