PMID Title Journal Publication Year Author View in RVdb
21303343 Development of anti-viral agents using molecular modeling and virtual screening techniques. Infect Disord Drug Targets 2011 Kirchmair J;Distinto S;Liedl KR;Markt P;Rollinger JM;Schuster D;Spitzer GM;Wolber G View More
21664926 Homology modeling, docking, molecular dynamics simulation, and structural analyses of coxsakievirus B3 2A protease: an enzyme involved in the pathogenesis of inflammatory myocarditis. Int J Biol Macromol 2011 Maghsoudi AH;Khodagholi F;Hadi-Alijanvand H;Esfandiarei M;Sabbaghian M;Zakeri Z;Shaerzadeh F;Abtahi S;Maghsoudi N View More
23157550 Exploring the dynamics of four RNA-dependent RNA polymerases by a coarse-grained model. J Phys Chem B 2012 Shen H;Moustafa IM;Cameron CE;Colina CM View More
24446360 The joys and perils of flexible fitting. Adv Exp Med Biol 2014 Volkmann N View More
26391975 Molecular mechanism of a specific capsid binder resistance caused by mutations outside the binding pocket. Antiviral Res 2015 Braun H;Kirchmair J;Williamson MJ;Makarov VA;Riabova OB;Glen RC;Sauerbrei A;Schmidtke M View More
30461192 Toward development of generic inhibitors against the 3C proteases of picornaviruses. FEBS J 2019 Banerjee K;Bhat R;Rao VUB;Nain A;Rallapalli KL;Gangopadhyay S;Singh RP;Banerjee M;Jayaram B View More
31834576 Human Rhinovirus Inhibition Through Capsid "Canyon" Perturbation: Structural Insights into The Role of a Novel Benzothiophene Derivative. Cell Biochem Biophys 2020 Agoni C;Ramharack P;Munsamy G;Soliman MES View More
32948116 Identification of potential inhibitors of SARS-CoV-2 main protease and spike receptor from 10 important spices through structure-based virtual screening and molecular dynamic study. J Biomol Struct Dyn 2022 Sen D;Debnath P;Debnath B;Bhaumik S;Debnath S View More
33225870 In silico screening predicts common cold drug Dextromethorphan along with Prednisolone and Dexamethasone can be effective against novel Coronavirus disease (COVID-19). J Biomol Struct Dyn 2022 Sarkar I;Sen A View More
33228481 Molecular dynamics simulation perception study of the binding affinity performance for main protease of SARS-CoV-2. J Biomol Struct Dyn 2022 Sahu SN;Mishra B;Sahu R;Pattanayak SK View More
33641023 Structure-activity relationship (SAR) and molecular dynamics study of withaferin-A fragment derivatives as potential therapeutic lead against main protease (M(pro)) of SARS-CoV-2. J Mol Model 2021 Ghosh A;Chakraborty M;Chandra A;Alam MP View More
34821198 In silico screening and covalent binding of phytochemicals of Ocimum sanctum against SARS-CoV-2 (COVID 19) main protease. J Biomol Struct Dyn 2023 Mohapatra PK;Chopdar KS;Dash GC;Mohanty AK;Raval MK View More