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Serine 477 plays a crucial role in the interaction of the SARS-CoV-2 spike protein with the human receptor ACE2

Scientific reports, 2021-02, Vol.11 (1), p.4320-4320, Article 4320

2021

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Accelerating Biocatalysis Discovery with Machine Learning: A Paradigm Shift in Enzyme Engineering, Discovery, and Design

ACS catalysis, 2023-11, Vol.13 (21), p.14454-14469

2023

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Deracemization of Secondary Alcohols through a Concurrent Tandem Biocatalytic Oxidation and Reduction

Angewandte Chemie (International ed.), 2008-01, Vol.47 (4), p.741-745

2008

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Fusion of Binding Domains to Thermobifida cellulosilytica Cutinase to Tune Sorption Characteristics and Enhancing PET Hydrolysis

Biomacromolecules, 2013-06, Vol.14 (6), p.1769-1776

2013

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Structural bioinformatics analysis of SARS-CoV-2 variants reveals higher hACE2 receptor binding affinity for Omicron B.1.1.529 spike RBD compared to wild type reference

Scientific reports, 2022-08, Vol.12 (1), p.14534-14534, Article 14534

2022

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Structural basis for inhibition of the AAA-ATPase Drg1 by diazaborine

Nature communications, 2021-06, Vol.12 (1), p.3483-3483, Article 3483

2021

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Orchestration of Concurrent Oxidation and Reduction Cycles for Stereoinversion and Deracemisation of sec-Alcohols

Journal of the American Chemical Society, 2008-10, Vol.130 (42), p.13969-13972

2008

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Optimizing variant-specific therapeutic SARS-CoV-2 decoys using deep-learning-guided molecular dynamics simulations

Scientific reports, 2023-01, Vol.13 (1), p.774-774, Article 774

2023

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AI-assisted structural consensus-proteome prediction of human monkeypox viruses isolated within a year after the 2022 multi-country outbreak

Microbiology spectrum, 2023-12, Vol.11 (6), p.e0231523-e0231523

2023

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From a Racemate to a Single Enantiomer: Deracemization by Stereoinversion

Advanced synthesis & catalysis, 2006-09, Vol.348 (14), p.1789-1805

2006

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Lipase B from Candida antarctica binds to hydrophobic substrate–water interfaces via hydrophobic anchors surrounding the active site entrance

Journal of molecular catalysis. B, Enzymatic, 2012-12, Vol.84, p.48-54

2012

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Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p

Biochimica et biophysica acta, 2016-05, Vol.1861 (5), p.462-470

2016

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Systematic benchmarking of large molecular dynamics simulations employing GROMACS on massive multiprocessing facilities

Journal of computational chemistry, 2011-03, Vol.32 (4), p.600-606

2011

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Recent changes in the mutational dynamics of the SARS-CoV-2 main protease substantiate the danger of emerging resistance to antiviral drugs

Frontiers in medicine, 2022-12, Vol.9, p.1061142-1061142

2022

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The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes

Biochimica et biophysica acta, 2012-07, Vol.1821 (7), p.1012-1021

2012

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The 2.5 Å Structure of the Enterococcus Conjugation Protein TraM resembles VirB8 Type IV Secretion Proteins

The Journal of biological chemistry, 2013-01, Vol.288 (3), p.2018-2028

2013

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Emulation of Racemase Activity by Employing a Pair of Stereocomplementary Biocatalysts

Chemistry : a European journal, 2007-01, Vol.13 (29), p.8271-8276

2007

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Non-Racemic Halohydrins via Biocatalytic Hydrogen-Transfer Reduction of Halo-Ketones and One-Pot Cascade Reaction to Enantiopure Epoxides

Advanced synthesis & catalysis, 2005-11, Vol.347 (14), p.1827-1834

2005

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Biocatalytic racemization of α-hydroxycarboxylic acids using a stereo-complementary pair of α-hydroxycarboxylic acid dehydrogenases

Tetrahedron, 2009-09, Vol.65 (36), p.7752-7755

2009

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Molecular modeling of lipase binding to a substrate-water interface

Methods in molecular biology (Clifton, N.J.), 2012, Vol.861, p.313

2012

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Group Analysis of Classical Lattice Systems

1977

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The 2.5 aa Structure of the Enterococcus Conjugation Protein TraM resembles VirB8 Type IV Secretion Proteins<inline-graphic xlink:href="sbox.jpg"/>

The Journal of biological chemistry, 2012-11, Vol.288 (3), p.2018-2028

2012

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Structural and biochemical characterization of two novel enzymes with promiscuous ene-reductase activity

New biotechnology, 2014-07, Vol.31, p.S20-S20

2014

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A biocatalytic one-pot oxidation/reduction sequence for the deracemisation of a sec-alcohol

Tetrahedron: asymmetry, 2007-02, Vol.18 (2), p.276-281

2007

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Biocatalytic racemization of a-hydroxycarboxylic acids using a stereo-complementary pair of a- hydroxycarboxylic acid dehydrogenases

Tetrahedron, 2009-09, Vol.65 (36), p.7752-7755

2009

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Serine 477 plays a crucial role in the interaction of the SARS-CoV-2 spike protein with the human receptor ACE2

Accelerating Biocatalysis Discovery with Machine Learning: A Paradigm Shift in Enzyme Engineering, Discovery, and Design

Deracemization of Secondary Alcohols through a Concurrent Tandem Biocatalytic Oxidation and Reduction

Fusion of Binding Domains to Thermobifida cellulosilytica Cutinase to Tune Sorption Characteristics and Enhancing PET Hydrolysis

Structural bioinformatics analysis of SARS-CoV-2 variants reveals higher hACE2 receptor binding affinity for Omicron B.1.1.529 spike RBD compared to wild type reference

Structural basis for inhibition of the AAA-ATPase Drg1 by diazaborine

Orchestration of Concurrent Oxidation and Reduction Cycles for Stereoinversion and Deracemisation of sec-Alcohols

Optimizing variant-specific therapeutic SARS-CoV-2 decoys using deep-learning-guided molecular dynamics simulations

AI-assisted structural consensus-proteome prediction of human monkeypox viruses isolated within a year after the 2022 multi-country outbreak

From a Racemate to a Single Enantiomer: Deracemization by Stereoinversion

Lipase B from Candida antarctica binds to hydrophobic substrate–water interfaces via hydrophobic anchors surrounding the active site entrance

Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p

Systematic benchmarking of large molecular dynamics simulations employing GROMACS on massive multiprocessing facilities

Recent changes in the mutational dynamics of the SARS-CoV-2 main protease substantiate the danger of emerging resistance to antiviral drugs

The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes

The 2.5 Å Structure of the Enterococcus Conjugation Protein TraM resembles VirB8 Type IV Secretion Proteins

Emulation of Racemase Activity by Employing a Pair of Stereocomplementary Biocatalysts

Non-Racemic Halohydrins via Biocatalytic Hydrogen-Transfer Reduction of Halo-Ketones and One-Pot Cascade Reaction to Enantiopure Epoxides

Biocatalytic racemization of α-hydroxycarboxylic acids using a stereo-complementary pair of α-hydroxycarboxylic acid dehydrogenases

Molecular modeling of lipase binding to a substrate-water interface

Group Analysis of Classical Lattice Systems

The 2.5 aa Structure of the Enterococcus Conjugation Protein TraM resembles VirB8 Type IV Secretion Proteins<inline-graphic xlink:href="sbox.jpg"/>

Structural and biochemical characterization of two novel enzymes with promiscuous ene-reductase activity

A biocatalytic one-pot oxidation/reduction sequence for the deracemisation of a sec-alcohol

Biocatalytic racemization of a-hydroxycarboxylic acids using a stereo-complementary pair of a- hydroxycarboxylic acid dehydrogenases

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