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Journal of Biomolecular Structure & Dynamics|March 17, 2018
Analyzing the pathways enriched in genes associated with nicotine dependence in the context of human protein-protein interaction networkYing Hu, Zhonghai Fang, Yichen Yang, et al.Journal of Biomolecular Structure & Dynamics|March 17, 2018
Dissecting water binding sites at protein-protein interfaces: a lesson from the atomic structures in the Protein Data BankSunandan Mukherjee, Chandran Nithin, Yasaswi Divakaruni, et al.Journal of Biomolecular Structure & Dynamics|November 25, 2017
Computational and in vitro insights on snake venom phospholipase A2 inhibitor of phytocompound ikshusterol3-O-glucoside of Clematis gouriana Roxb. ex DCKarthikeyan Muthusamy, Sathishkumar Chinnasamy, Subbiah Nagarajan, et al.Journal of Biomolecular Structure & Dynamics|March 21, 2018
In silico identification and design of potent peptide inhibitors against PDZ-3 domain of Postsynaptic Density Protein (PSD-95)Tanuj Sharma, Mohammad Imran SiddiqiJournal of Biomolecular Structure & Dynamics|November 30, 2018
Interaction of anticancer drug pinostrobin with lysozyme: a biophysical and molecular docking approachMasihuz Zaman, Haaris Ahsan Safdari, Asra Nasir Khan, et al.Journal of Biomolecular Structure & Dynamics|November 30, 2018
Aerobic respiration: proof of concept for the oxygen-centric murburn perspectiveKelath Murali Manoj, Abhinav Parashar, Vivian David Jacob, et al.Journal of Biomolecular Structure & Dynamics|November 30, 2018
Elucidation of conformational diversity of druggable enzymes and classification of chemical modulators based on inhibitor-bound structuresSravani Akula, Venkata Krishna Vanamamalai, Vishnu Prasad Nair Ru, et al.Journal of Biomolecular Structure & Dynamics|November 30, 2018
Side chain torsion dictates planarity and ionizability of green fluorescent protein's chromophore leading to spectral perturbationsS Sriram Raghavan, Ayyadurai Niraikulam, Krishnasamy GunasekaranJournal of Biomolecular Structure & Dynamics|January 11, 2019
A coarse-grain MD (molecular dynamic) simulation of PCL-PEG and PLA-PEG aggregation as a computational model for prediction of the drug-loading efficacy of doxorubicinSeyed Mohammad Ebrahim Kamrani, Farzin HadizadehJournal of Biomolecular Structure & Dynamics|December 25, 2018
Predictive models for designing potent tyrosine kinase inhibitors in chronic myeloid leukemia for understanding its molecular mechanism of resistance by molecular docking and dynamics simulationsAnu R Melge, Lekshmi G Kumar, Pavithran K, et al.Pageof 932