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Structure-Based Virtual Screening to Discover Potential Lead Molecules for the SARS-CoV‑2 Main Protease

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5781-5793

2020

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Machine learning-based modeling to predict inhibitors of acetylcholinesterase

Molecular diversity, 2022-02, Vol.26 (1), p.331-340

2022

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Machine learning-enabled predictive modeling to precisely identify the antimicrobial peptides

Medical & biological engineering & computing, 2021-11, Vol.59 (11-12), p.2397-2408

2021

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CRAFT: a web-integrated cavity prediction tool based on flow transfer algorithm

Journal of cheminformatics, 2024-01, Vol.16 (1), p.12-12, Article 12

2024

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Design, Synthesis, and biological evaluation of pyrazolo-benzothiazole derivatives as a potential therapeutic agent for the treatment of Alzheimer’s disease

Medicinal chemistry research, 2022-11, Vol.31 (11), p.1931-1947

2022

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Ultrasonic disruption of Pseudomonas putida for the release of arginine deiminase: Kinetics and predictive models

Bioresource technology, 2017-06, Vol.233, p.74-83

2017

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Virtual autism among children: A leading hazard of gadget exposure and preventive measures

Journal of education and health promotion, 2024-01, Vol.13 (1), p.76-76

2024

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Machine Learning Enables Accurate Prediction of Quinone Formation during Drug Metabolism

Chemical research in toxicology, 2023-12, Vol.36 (12), p.1876-1890

2023

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Probing the Molecular Basis of Cofactor Affinity and Conformational Dynamics of Mycobacterium tuberculosis Elongation Factor Tu: An Integrated Approach Employing Steered Molecular Dynamics and Umbrella Sampling Simulations

The journal of physical chemistry. B, 2022-02, Vol.126 (7), p.1447-1461

2022

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Classification of Breast Cancer Resistant Protein (BCRP) Inhibitors and Non-Inhibitors Using Machine Learning Approaches

Combinatorial chemistry & high throughput screening, 2015-01, Vol.18 (5), p.476

2015

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Mycobacterium tuberculosis Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH) Functions as a Receptor for Human Lactoferrin

Frontiers in cellular and infection microbiology, 2017-06, Vol.7, p.245-245

2017

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Synthesis and Antileishmanial activity of Piperoyl-Amino Acid Conjugates

European journal of medicinal chemistry, 2010-08, Vol.45 (8), p.3439-3445

2010

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Classification of Human Pregnane X Receptor (hPXR) Activators and Non-Activators by Machine Learning Techniques: A Multifaceted Approach

Combinatorial chemistry & high throughput screening, 2016-01, Vol.19 (4), p.307

2016

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Deep learning-based prediction model for diagnosing gastrointestinal diseases using endoscopy images

International journal of medical informatics (Shannon, Ireland), 2023-09, Vol.177, p.105142-105142, Article 105142

2023

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QSAR study of curcumine derivatives as HIV-1 integrase inhibitors

Current computer-aided drug design, 2013-03, Vol.9 (1), p.141

2013

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Disruption of Pseudomonas putida by high pressure homogenization: a comparison of the predictive capacity of three process models for the efficient release of arginine deiminase

AMB Express, 2016-10, Vol.6 (1), p.84-13, Article 84

2016

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Prediction of drug-resistance in HIV-1 subtype C based on protease sequences from ART naive and first-line treatment failures in North India using genotypic and docking analysis

Antiviral research, 2011-11, Vol.92 (2), p.213-218

2011

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AndroPred: an artificial intelligence-based model for predicting androgen receptor inhibitors

Journal of biomolecular structure & dynamics, 2024-09, Vol.42 (14), p.7340-7348

2024

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Artificial intelligence in intestinal polyp and colorectal cancer prediction

Cancer letters, 2023-07, Vol.565, p.216238-216238, Article 216238

2023

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Unlocking translational machinery for antitubercular drug development

Trends in biochemical sciences (Amsterdam. Regular ed.), 2024-03, Vol.49 (3), p.195-198

2024

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Selective Fusion of Heterogeneous Classifiers for Predicting Substrates of Membrane Transporters

Journal of chemical information and modeling, 2017-03, Vol.57 (3), p.594-607

2017

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Prediction of Mycobacterium tuberculosis cell wall permeability using machine learning methods

Molecular diversity, 2024-08

2024

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TNFipred: a classification model to predict TNF-α inhibitors

Molecular diversity, 2024-06, Vol.28 (3), p.1697-1707

2024

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Artificial intelligence and machine learning for protein toxicity prediction using proteomics data

Chemical biology & drug design, 2020-09, Vol.96 (3), p.902-920

2020

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Physicochemical n‐Grams Tool: A tool for protein physicochemical descriptor generation via Chou’s 5‐step rule

Chemical biology & drug design, 2020-01, Vol.95 (1), p.79-86

2020

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Structure-Based Virtual Screening to Discover Potential Lead Molecules for the SARS-CoV‑2 Main Protease

Machine learning-based modeling to predict inhibitors of acetylcholinesterase

Machine learning-enabled predictive modeling to precisely identify the antimicrobial peptides

CRAFT: a web-integrated cavity prediction tool based on flow transfer algorithm

Design, Synthesis, and biological evaluation of pyrazolo-benzothiazole derivatives as a potential therapeutic agent for the treatment of Alzheimer’s disease

Ultrasonic disruption of Pseudomonas putida for the release of arginine deiminase: Kinetics and predictive models

Virtual autism among children: A leading hazard of gadget exposure and preventive measures

Machine Learning Enables Accurate Prediction of Quinone Formation during Drug Metabolism

Probing the Molecular Basis of Cofactor Affinity and Conformational Dynamics of Mycobacterium tuberculosis Elongation Factor Tu: An Integrated Approach Employing Steered Molecular Dynamics and Umbrella Sampling Simulations

Classification of Breast Cancer Resistant Protein (BCRP) Inhibitors and Non-Inhibitors Using Machine Learning Approaches

Mycobacterium tuberculosis Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH) Functions as a Receptor for Human Lactoferrin

Synthesis and Antileishmanial activity of Piperoyl-Amino Acid Conjugates

Classification of Human Pregnane X Receptor (hPXR) Activators and Non-Activators by Machine Learning Techniques: A Multifaceted Approach

Deep learning-based prediction model for diagnosing gastrointestinal diseases using endoscopy images

QSAR study of curcumine derivatives as HIV-1 integrase inhibitors

Disruption of Pseudomonas putida by high pressure homogenization: a comparison of the predictive capacity of three process models for the efficient release of arginine deiminase

Prediction of drug-resistance in HIV-1 subtype C based on protease sequences from ART naive and first-line treatment failures in North India using genotypic and docking analysis

AndroPred: an artificial intelligence-based model for predicting androgen receptor inhibitors

Artificial intelligence in intestinal polyp and colorectal cancer prediction

Unlocking translational machinery for antitubercular drug development

Selective Fusion of Heterogeneous Classifiers for Predicting Substrates of Membrane Transporters

Prediction of Mycobacterium tuberculosis cell wall permeability using machine learning methods

TNFipred: a classification model to predict TNF-α inhibitors

Artificial intelligence and machine learning for protein toxicity prediction using proteomics data

Physicochemical n‐Grams Tool: A tool for protein physicochemical descriptor generation via Chou’s 5‐step rule

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