MD simulation studies to investigate iso-energetic conformational behaviour of modified nucleosides m(2)G and m(2) (2)G present in tRNA

por Bavi, Rohit S, Sambhare, Susmit B, Sonawane, Kailas D
Publicado 2013

Exploration of Novel Inhibitors for Bruton’s Tyrosine Kinase by 3D QSAR Modeling and Molecular Dynamics Simulation

por Bavi, Rohit, Kumar, Raj, Choi, Light, Woo Lee, Keun
Publicado 2016

Identification of novel leads as potent inhibitors of HDAC3 using ligand-based pharmacophore modeling and MD simulation

por Kumbhar, Navanath, Nimal, Snehal, Barale, Sagar, Kamble, Subodh, Bavi, Rohit, Sonawane, Kailas, Gacche, Rajesh
Publicado 2022

New compounds identified through in silico approaches reduce the α-synuclein expression by inhibiting prolyl oligopeptidase in vitro

por Kumar, Raj, Bavi, Rohit, Jo, Min Gi, Arulalapperumal, Venkatesh, Baek, Ayoung, Rampogu, Shailima, Kim, Myeong Ok, Lee, Keun Woo
Publicado 2017

Ginger (Zingiber officinale) phytochemicals—gingerenone-A and shogaol inhibit SaHPPK: molecular docking, molecular dynamics simulations and in vitro approaches

por Rampogu, Shailima, Baek, Ayoung, Gajula, Rajesh Goud, Zeb, Amir, Bavi, Rohit S., Kumar, Raj, Kim, Yongseong, Kwon, Yong Jung, Lee, Keun Woo
Publicado 2018

Doxorubicin-Conjugated Innovative 16-mer DNA Aptamer-Based Annexin A1 Targeted Anti-Cancer Drug Delivery

por Bavi, Rohit, Hang, Zhang, Banerjee, Parikshit, Aquib, Md, Jadhao, Mahendra, Rane, Niraj, Bavi, Sneha, Bhosale, Raghunath, Kodam, Kisan, Jeon, Byong-Hun, Gu, Yueqing
Publicado 2020

Pharmacotherapeutics and Molecular Mechanism of Phytochemicals in Alleviating Hormone-Responsive Breast Cancer

por Rampogu, Shailima, Park, Chanin, Ravinder, Doneti, Son, Minky, Baek, Ayoung, Zeb, Amir, Bavi, Rohit, Kumar, Raj, Lee, Gihwan, Parate, Shraddha, Pawar, Smita C., Park, Yohan, Park, Seok Ju, Lee, Keun Woo
Publicado 2019