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Understanding the role of land use for urban stormwater management in coastal waterways

Water research (Oxford), 2023-10, Vol.245, p.120658-120658, Article 120658

2023

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BioPhi: A platform for antibody design, humanization, and humanness evaluation based on natural antibody repertoires and deep learning

mAbs, 2022, Vol.14 (1), p.2020203

2022

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FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes

Journal of chemical information and modeling, 2019-08, Vol.59 (8), p.3400-3412

2019

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SYBA: Bayesian estimation of synthetic accessibility of organic compounds

Journal of cheminformatics, 2020-05, Vol.12 (1), p.35-35, Article 35

2020

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FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity

Journal of chemical information and modeling, 2017-08, Vol.57 (8), p.1832-1846

2017

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Comparison of Intrinsic Stacking Energies of Ten Unique Dinucleotide Steps in A-RNA and B-DNA Duplexes. Can We Determine Correct Order of Stability by Quantum-Chemical Calculations?

The journal of physical chemistry. B, 2010-01, Vol.114 (2), p.1191-1203

2010

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GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism

Frontiers in chemistry, 2019-06, Vol.7, p.402-402

2019

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QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction

Journal of cheminformatics, 2020-06, Vol.12 (1), p.41-17, Article 41

2020

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InCHlib – interactive cluster heatmap for web applications

Journal of cheminformatics, 2014-09, Vol.6 (1), p.44-44, Article 44

2014

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The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies

Physical chemistry chemical physics : PCCP, 2012-11, Vol.14 (44), p.15257-15277

2012

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Bioinformatic analysis of the protein/DNA interface

Nucleic acids research, 2014-03, Vol.42 (5), p.3381-3394

2014

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Introduction to multi-layer feed-forward neural networks

Chemometrics and intelligent laboratory systems, 1997-11, Vol.39 (1), p.43-62

1997

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Molpher: a software framework for systematic chemical space exploration

Journal of cheminformatics, 2014-03, Vol.6 (1), p.7-7, Article 7

2014

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A DNA Structural Alphabet Distinguishes Structural Features of DNA Bound to Regulatory Proteins and in the Nucleosome Core Particle

Genes, 2017-10, Vol.8 (10), p.278

2017

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Can X-Ray Powder Diffraction Be a Suitable Forensic Method for Illicit Drug Identification?

Frontiers in chemistry, 2020-06, Vol.8, p.499-499

2020

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Forgotten fish habitats: Developing a conceptual framework for evaluating intermittent waterways and flood channels as native fish habitats: Insights from two freshwater catchments in Australia

Journal of environmental management, 2024-11, Vol.370, p.122296, Article 122296

2024

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An enumeration of natural products from microbial, marine and terrestrial sources

Physical sciences reviews, 2020-08, Vol.5 (8)

2020

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General Base Catalysis for Cleavage by the Active-Site Cytosine of the Hepatitis Delta Virus Ribozyme: QM/MM Calculations Establish Chemical Feasibility

The journal of physical chemistry. B, 2008-09, Vol.112 (35), p.11177-11187

2008

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Efficient RNA pairwise structure comparison by SETTER method

Bioinformatics, 2012-07, Vol.28 (14), p.1858-1864

2012

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NERDD: a web portal providing access to in silico tools for drug discovery

Bioinformatics, 2020-02, Vol.36 (4), p.1291-1292

2020

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DNA conformations and their sequence preferences

Nucleic acids research, 2008-06, Vol.36 (11), p.3690-3706

2008

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Refinement of the AMBER Force Field for Nucleic Acids: Improving the Description of α/ γ Conformers

Biophysical journal, 2007-06, Vol.92 (11), p.3817-3829

2007

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Probes &Drugs portal: an interactive, open data resource for chemical biology

Nature methods, 2017-08, Vol.14 (8), p.759-760

2017

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Ab initio electronic structure of thymine anions

Physical chemistry chemical physics : PCCP, 2005-03, Vol.7 (5), p.840-845

2005

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Multiple 3D RNA Structure Superposition Using Neighbor Joining

IEEE/ACM transactions on computational biology and bioinformatics, 2015-05, Vol.12 (3), p.520-530

2015

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Understanding the role of land use for urban stormwater management in coastal waterways

BioPhi: A platform for antibody design, humanization, and humanness evaluation based on natural antibody repertoires and deep learning

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes

SYBA: Bayesian estimation of synthetic accessibility of organic compounds

FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity

Comparison of Intrinsic Stacking Energies of Ten Unique Dinucleotide Steps in A-RNA and B-DNA Duplexes. Can We Determine Correct Order of Stability by Quantum-Chemical Calculations?

GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism

QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction

InCHlib – interactive cluster heatmap for web applications

The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies

Bioinformatic analysis of the protein/DNA interface

Introduction to multi-layer feed-forward neural networks

Molpher: a software framework for systematic chemical space exploration

A DNA Structural Alphabet Distinguishes Structural Features of DNA Bound to Regulatory Proteins and in the Nucleosome Core Particle

Can X-Ray Powder Diffraction Be a Suitable Forensic Method for Illicit Drug Identification?

Forgotten fish habitats: Developing a conceptual framework for evaluating intermittent waterways and flood channels as native fish habitats: Insights from two freshwater catchments in Australia

An enumeration of natural products from microbial, marine and terrestrial sources

General Base Catalysis for Cleavage by the Active-Site Cytosine of the Hepatitis Delta Virus Ribozyme: QM/MM Calculations Establish Chemical Feasibility

Efficient RNA pairwise structure comparison by SETTER method

NERDD: a web portal providing access to in silico tools for drug discovery

DNA conformations and their sequence preferences

Refinement of the AMBER Force Field for Nucleic Acids: Improving the Description of α/ γ Conformers

Probes &Drugs portal: an interactive, open data resource for chemical biology

Ab initio electronic structure of thymine anions

Multiple 3D RNA Structure Superposition Using Neighbor Joining

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