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Journal of Chemical Information and Modeling|April 29, 2021
Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICKVinícius Wilian D Cruzeiro, Madushanka Manathunga, Kenneth M Merz, et al.Journal of the American Chemical Society|April 3, 2018
The Role of the Active Site Flap in Streptavidin/Biotin Complex FormationNupur Bansal, Zheng Zheng, Lin Frank Song, et al.The Journal of Chemical Physics|September 8, 2011
Pairwise additivity of energy components in protein-ligand binding: the HIV II protease-Indinavir caseMelek N Ucisik, Danial S Dashti, John C Faver, et al.Optics Express|June 2, 2009
Enhancement of stability and efficiency of a nonlinear mirror mode-locked Nd:YVO(4) oscillator by an active Q-switchPrasanta Datta, Sourabh Mukhopadhyay, Susanta Das, et al.Protein Science : a Publication of the Protein Society|November 30, 2006
Critical assessment of quantum mechanics based energy restraints in protein crystal structure refinementNing Yu, Xue Li, Guanglei Cui, et al.ACS Omega|September 15, 2025
Synthesis of 1,2,3-Triazole and Tetrazole Appended Glycoconjugates Based on 3,6-Anhydroglucofuranose via Click ReactionSusanta Das, Ratul Hore, Sayanta Paria, et al.Carbohydrate Research|June 20, 2026
Structural bias effect on fluorination at C-1 and C-2 of alkyl-3,6-anhydro-D-hexofuranosides: Syntheses of 2-fluoro sauropunols and glycosyl fluoridesSusanta Das, Ratul Hore, Sayanta Paria, et al.Journal of Chemical Theory and Computation|December 30, 2022
Accurate Metal-Imidazole InteractionsZhen Li, Lin Frank Song, Gaurav Sharma, et al.Biochemistry|June 2, 2017
Mechanism of Formation of the Nonstandard Product in the Prenyltransferase Reaction of the G115T Mutant of FtmPT1: A Case of Reaction Dynamics Calling the Shots?Li-Li Pan, Lin Frank Song, Yipu Miao, et al.The Journal of Biological Chemistry|June 9, 2026
An N-terminal amphipathic helix governs activity and conformational dynamics of Nramp metal transportersMajid Jafari, Hongyan Zhao, Yao Zhang, et al.Pageof 25