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The Journal of Physical Chemistry Letters|August 22, 2015
Facilitating Minima Search for Large Water Clusters at the MP2 Level via Molecular TailoringJonathan P Furtado, Anuja P Rahalkar, Sudhanshu Shanker, et al.The Journal of Chemical Physics|November 3, 2014
Low energy isomers of (H2O)25 from a hierarchical method based on Monte Carlo temperature basin paving and molecular tailoring approaches benchmarked by MP2 calculationsNityananda Sahu, Shridhar R Gadre, Avijit Rakshit, et al.Physical Chemistry Chemical Physics : PCCP|November 4, 2008
Use of molecular electrostatic potential for quantitative assessment of inductive effectCherumuttathu H Suresh, P Alexander, K Periya Vijayalakshmi, et al.Journal of Computational Chemistry|June 24, 2026
Hydrogen Bond Energy Estimation in Large Molecular Clusters via the Method of Synergistic Cyclic Cooperativity: A Software Update H-BEE 2.0Ayush Shivhare, Mini Bharati Ahirwar, Subodh S Khire, et al.Anti-Cancer Agents in Medicinal Chemistry|February 27, 2023
Phytochemicals in the Synthetic Era: A Potential Oncosuppressor against Cancer Stem CellsDevangkumar Maru, Anmol Kumar3 Biotech|July 3, 2025
Molecular identification and optimization of media components for enhanced production of staphylokinase produced by Staphylococcus aureus SAK42 from bovine milkShivangi Vadhiya, Anmol KumarThe Journal of Physical Chemistry. B|May 1, 2024
FFParam-v2.0: A Comprehensive Tool for CHARMM Additive and Drude Polarizable Force-Field Parameter Optimization and ValidationAnmol Kumar, Alexander D MacKerellJournal of Computational Chemistry|May 16, 2025
Non-Covalent Molecular Interaction Rules to Define Internal Dimer Coordinates for Quantum Mechanical Potential Energy ScansSuliman Sharif, Anmol Kumar, Alexander D MacKerellJournal of Computational Chemistry|December 31, 2019
FFParam: Standalone package for CHARMM additive and Drude polarizable force field parametrization of small moleculesAnmol Kumar, Ozge Yoluk, Alexander D MacKerellAIMS Neuroscience|October 21, 2024
Novel perspective of therapeutic modules to overcome motor and nonmotor symptoms in Parkinson's diseaseAnmol Kumar, Ajay Kumar Gupta, Prashant Kumar SinghPageof 14