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Expert Opinion on Drug Discovery|October 30, 2018
Gaussian accelerated molecular dynamics for elucidation of drug pathwaysApurba Bhattarai, Yinglong MiaoThe Journal of Physical Chemistry Letters|May 17, 2021
Mechanism of Ligand Recognition by Human ACE2 ReceptorApurba Bhattarai, Shristi Pawnikar, Yinglong MiaoJournal of Computational Chemistry|October 12, 2019
G-Protein-Coupled Receptor-Membrane Interactions Depend on the Receptor Activation StateApurba Bhattarai, Jinan Wang, Yinglong MiaoJournal of Chemical Theory and Computation|July 22, 2020
Ligand Gaussian Accelerated Molecular Dynamics (LiGaMD): Characterization of Ligand Binding Thermodynamics and KineticsYinglong Miao, Apurba Bhattarai, Jinan WangBiorxiv : the Preprint Server for Biology|November 3, 2020
Mechanism of ligand recognition by human ACE2 receptorApurba Bhattarai, Shristi Pawnikar, Yinglong MiaoBiochimica Et Biophysica Acta. General Subjects|April 17, 2020
Retrospective ensemble docking of allosteric modulators in an adenosine G-protein-coupled receptorApurba Bhattarai, Jinan Wang, Yinglong MiaoAdvances and Applications in Bioinformatics and Chemistry : AABC|January 13, 2022
Binding Analysis Using Accelerated Molecular Dynamics Simulations and Future PerspectivesShristi Pawnikar, Apurba Bhattarai, Jinan Wang, et al.Journal of Chemical Theory and Computation|February 24, 2022
GLOW: A Workflow Integrating Gaussian-Accelerated Molecular Dynamics and Deep Learning for Free Energy ProfilingHung N Do, Jinan Wang, Apurba Bhattarai, et al.QRB Discovery|June 28, 2023
Challenges and frontiers of computational modelling of biomolecular recognitionJinan Wang, Apurba Bhattarai, Hung Nguyen Do, et al.ACS Central Science|July 2, 2020
Mechanisms of γ-Secretase Activation and Substrate ProcessingApurba Bhattarai, Sujan Devkota, Sanjay Bhattarai, et al.Pageof 2