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miRTarBase update 2022: an informative resource for experimentally validated miRNA-target interactions

Nucleic acids research, 2022-01, Vol.50 (D1), p.D222-D230

2022

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Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants

The Journal of biological chemistry, 2018-11, Vol.293 (48), p.18601-18612

2018

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DeepAFP: An effective computational framework for identifying antifungal peptides based on deep learning

Protein science, 2023-10, Vol.32 (10), p.e4758

2023

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AMPActiPred: A three‐stage framework for predicting antibacterial peptides and activity levels with deep forest

Protein science, 2024-06, Vol.33 (6), p.e5006-n/a

2024

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Crystal structure of steroid reductase SRD5A reveals conserved steroid reduction mechanism

Nature communications, 2021-01, Vol.12 (1), p.449-10, Article 449

2021

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Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase

Biochemistry (Easton), 2016-11, Vol.55 (45), p.6314-6326

2016

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Exploring the Chemical Space of CYP17A1 Inhibitors Using Cheminformatics and Machine Learning

Molecules (Basel, Switzerland), 2023-02, Vol.28 (4), p.1679

2023

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Identifying Residues for Substrate Recognition in Human GPAT4 by Molecular Dynamics Simulations

International journal of molecular sciences, 2024-04, Vol.25 (7), p.3729

2024

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StackTHPred: Identifying Tumor-Homing Peptides through GBDT-Based Feature Selection with Stacking Ensemble Architecture

International journal of molecular sciences, 2023-06, Vol.24 (12), p.10348

2023

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Molecular Dynamics Simulations of Antibiotic Ceftaroline at the Allosteric Site of Penicillin‐Binding Protein 2a (PBP2a)

Israel journal of chemistry, 2020-07, Vol.60 (7), p.754-763

2020

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Large deletion of Wdr19 in developing renal tubules disrupts primary ciliogenesis, leading to polycystic kidney disease in mice

The Journal of pathology, 2022-05, Vol.257 (1), p.5-16

2022

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Accelerating the Discovery of Anticancer Peptides through Deep Forest Architecture with Deep Graphical Representation

International journal of molecular sciences, 2023-02, Vol.24 (5), p.4328

2023

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Structural and dynamic basis of substrate permissiveness in hydroxycinnamoyltransferase (HCT)

PLoS computational biology, 2018-10, Vol.14 (10), p.e1006511-e1006511

2018

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The role of intramolecular nonbonded interaction and angle sampling in single-step free energy perturbation

The Journal of chemical physics, 2016-12, Vol.145 (23), p.234109-234109

2016

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Virtual substitution scan via single‐step free energy perturbation

Biopolymers, 2016-06, Vol.105 (6), p.324-336

2016

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The exact wavefunction factorization of a vibronic coupling system

The Journal of chemical physics, 2014-02, Vol.140 (5), p.054104-054104

2014

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Structure basis for the modulation of CXC chemokine receptor 3 by antagonist AMG487

Cell discovery, 2023-11, Vol.9 (1), p.119-119, Article 119

2023

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ABPCaps: A Novel Capsule Network-Based Method for the Prediction of Antibacterial Peptides

Applied sciences, 2023-06, Vol.13 (12), p.6965

2023

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Structural insights into the activation and inhibition of CXC chemokine receptor 3

Nature structural & molecular biology, 2024-04, Vol.31 (4), p.610-620

2024

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Predicting Anti-inflammatory Peptides by Ensemble Machine Learning and Deep Learning

Journal of chemical information and modeling, 2023-12, Vol.63 (24), p.7886-7898

2023

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Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins

Proceedings of the National Academy of Sciences - PNAS, 2020-05, Vol.117 (20), p.10806-10817

2020

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Discovery and substrate specificity engineering of nucleotide halogenases

Nature communications, 2024-06, Vol.15 (1), p.5254-12, Article 5254

2024

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dbAMP 2.0: updated resource for antimicrobial peptides with an enhanced scanning method for genomic and proteomic data

Nucleic acids research, 2022-01, Vol.50 (D1), p.D460-D470

2022

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Identifying Antitubercular Peptides via Deep Forest Architecture with Effective Feature Representation

Analytical chemistry (Washington), 2024-01, Vol.96 (4), p.1538-1546

2024

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Accuracy of Potfit-based potential representations and its impact on the performance of (ML-)MCTDH

Chemical physics, 2018-06, Vol.509, p.116-130

2018

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miRTarBase update 2022: an informative resource for experimentally validated miRNA-target interactions

Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants

DeepAFP: An effective computational framework for identifying antifungal peptides based on deep learning

AMPActiPred: A three‐stage framework for predicting antibacterial peptides and activity levels with deep forest

Crystal structure of steroid reductase SRD5A reveals conserved steroid reduction mechanism

Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase

Exploring the Chemical Space of CYP17A1 Inhibitors Using Cheminformatics and Machine Learning

Identifying Residues for Substrate Recognition in Human GPAT4 by Molecular Dynamics Simulations

StackTHPred: Identifying Tumor-Homing Peptides through GBDT-Based Feature Selection with Stacking Ensemble Architecture

Molecular Dynamics Simulations of Antibiotic Ceftaroline at the Allosteric Site of Penicillin‐Binding Protein 2a (PBP2a)

Large deletion of Wdr19 in developing renal tubules disrupts primary ciliogenesis, leading to polycystic kidney disease in mice

Accelerating the Discovery of Anticancer Peptides through Deep Forest Architecture with Deep Graphical Representation

Structural and dynamic basis of substrate permissiveness in hydroxycinnamoyltransferase (HCT)

The role of intramolecular nonbonded interaction and angle sampling in single-step free energy perturbation

Virtual substitution scan via single‐step free energy perturbation

The exact wavefunction factorization of a vibronic coupling system

Structure basis for the modulation of CXC chemokine receptor 3 by antagonist AMG487

ABPCaps: A Novel Capsule Network-Based Method for the Prediction of Antibacterial Peptides

Structural insights into the activation and inhibition of CXC chemokine receptor 3

Predicting Anti-inflammatory Peptides by Ensemble Machine Learning and Deep Learning

Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins

Discovery and substrate specificity engineering of nucleotide halogenases

dbAMP 2.0: updated resource for antimicrobial peptides with an enhanced scanning method for genomic and proteomic data

Identifying Antitubercular Peptides via Deep Forest Architecture with Effective Feature Representation

Accuracy of Potfit-based potential representations and its impact on the performance of (ML-)MCTDH

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