Publications by authors named "Kumar Anmol"

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Artificial Intelligence Approaches for Early Prediction of Parkinson's Disease.
Anjali Gond, Adarsh Kumar, Anmol Kumar, Swatantra K S Kushwaha

Cent Nerv Syst Agents Med Chem· August 2025

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Molecular identification and optimization of media components for enhanced production of staphylokinase produced by SAK42 from bovine milk.
Shivangi Vadhiya, Anmol Kumar

3 Biotech· July 2025

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Non-Covalent Molecular Interaction Rules to Define Internal Dimer Coordinates for Quantum Mechanical Potential Energy Scans.
Suliman Sharif, Anmol Kumar, Alexander D MacKerell

J Comput Chem· May 2025

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Interconnections of screen time with neuroinflammation.
Ashish Verma, Anmol Kumar, Satendra Chauhan, Nisha Sharma, Anuradha Kalani

Mol Cell Biochem· March 2025

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Increasing the Accuracy and Robustness of the CHARMM General Force Field with an Expanded Training Set.
Anastasia Croitoru, Anmol Kumar, Jean-Christophe Lambry, Jihyeon Lee, Suliman Sharif

J Chem Theory Comput· March 2025

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Modeling Ligand Binding Site Water Networks with Site Identification by Ligand Competitive Saturation: Impact on Ligand Binding Orientations and Relative Binding Affinities.
Anmol Kumar, Himanshu Goel, Wenbo Yu, Mingtian Zhao, Alexander D MacKerell

J Chem Theory Comput· December 2024

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Combined Physics- and Machine-Learning-Based Method to Identify Druggable Binding Sites Using SILCS-Hotspots.
Erik B Nordquist, Mingtian Zhao, Anmol Kumar, Alexander D MacKerell

J Chem Inf Model· October 2024

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Novel perspective of therapeutic modules to overcome motor and nonmotor symptoms in Parkinson's disease.
Anmol Kumar, Ajay Kumar Gupta, Prashant Kumar Singh

AIMS Neurosci· September 2024

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Whole-genome sequencing identifies variants in ANK1, LRRN1, HAS1, and other genes and regulatory regions for stroke in type 1 diabetes.
Anni A Antikainen, Jani K Haukka, Anmol Kumar, Anna Syreeni, Stefanie Hägg-Holmberg

Sci Rep· June 2024

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In-hospital outcomes in COVID-19 patients with non-alcoholic fatty liver disease by severity of obesity: Insights from national inpatient sample 2020.
Sashwath Srikanth, Vibhor Garg, Lakshmi Subramanian, Jyoti Verma, Hansika Sharma, Kumar Anmol

World J Hepatol· June 2024

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FFParam-v2.0: A Comprehensive Tool for CHARMM Additive and Drude Polarizable Force-Field Parameter Optimization and Validation.
Anmol Kumar, Alexander D MacKerell

J Phys Chem B· May 2024

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Phytochemicals in the Synthetic Era: A Potential Oncosuppressor against Cancer Stem Cells.
Devangkumar Maru, Anmol Kumar

Anticancer Agents Med Chem· June 2023

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Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach.
Subodh S Khire, Nandini Gattadahalli, Nalini D Gurav, Anmol Kumar, Shridhar R Gadre

Chemphyschem· May 2023

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Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids.
Yalun Yu, Richard M Venable, Jonathan Thirman, Payal Chatterjee, Anmol Kumar

J Chem Theory Comput· May 2023

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The relationship between FGF23 and body composition according to albuminuria stage in type 1 diabetes.
Erika B Parente, Aila J Ahola, Anmol Kumar, Markku Lehto, Per-Henrik Groop

Diabetes Res Clin Pract· April 2023

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L-type calcium channel blocker increases VEGF concentrations in retinal cells and human serum.
Anmol Kumar, Stefan Mutter, Erika B Parente, Valma Harjutsalo, Raija Lithovius

PLoS One· April 2023

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Targeting Ferroptosis Pathways: A Novel Strategy for Cancer Therapy.
Devangkumar Maru, Akhil Hothi, Chintan Bagariya, Anmol Kumar

Curr Cancer Drug Targets· June 2022

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Harnessing Deep Learning for Optimization of Lennard-Jones Parameters for the Polarizable Classical Drude Oscillator Force Field.
Payal Chatterjee, Mert Y Sengul, Anmol Kumar, Alexander D MacKerell

J Chem Theory Comput· April 2022

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Deep Neural Network Model to Predict the Electrostatic Parameters in the Polarizable Classical Drude Oscillator Force Field.
Anmol Kumar, Poonam Pandey, Payal Chatterjee, Alexander D MacKerell

J Chem Theory Comput· March 2022

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Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach.
Miroslava Nedyalkova, Mahdi Vasighi, Subrahmanyam Sappati, Anmol Kumar, Sergio Madurga

Pharmaceuticals (Basel)· December 2021

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A Necessary Role for Increased Biglycan Expression during L1-Mediated Colon Cancer Progression.
Arka Saha, Sanith Cheriyamundath, Anmol Kumar, Nancy Gavert, Thomas Brabletz

Int J Mol Sci· December 2021

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Genetic Profile of Endotoxemia Reveals an Association With Thromboembolism and Stroke.
Jaakko Leskelä, Iiro Toppila, Mari-Anne Härma, Teemu Palviainen, Aino Salminen, Anmol Kumar

J Am Heart Assoc· November 2021

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Additive CHARMM36 Force Field for Nonstandard Amino Acids.
Anastasia Croitoru, Sang-Jun Park, Anmol Kumar, Jumin Lee, Wonpil Im

J Chem Theory Comput· June 2021

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Luminescent naphthalimide-tagged ruthenium(ii)-arene complexes: cellular imaging, photocytotoxicity and transferrin binding.
Payal Srivastava, Madhu Verma, Anmol Kumar, Priyanka Srivastava, Ramranjan Mishra

Dalton Trans· March 2021

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The Collagen-Modifying Enzyme PLOD2 Is Induced and Required during L1-Mediated Colon Cancer Progression.
Sanith Cheriyamundath, Anmol Kumar, Nancy Gavert, Thomas Brabletz, Avri Ben-Ze'ev

Int J Mol Sci· March 2021

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