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The Journal of Physical Chemistry. B|August 27, 2009
Contribution of the intrinsic mechanical energy of the phosphodiester linkage to the relative stability of the A, BI, and BII forms of duplex DNAAlexander D MacKerellJournal of Computational Chemistry|July 21, 2004
Empirical force fields for biological macromolecules: overview and issuesAlexander D MackerellNucleic Acids Research|August 31, 2015
Sumoylation of Sir2 differentially regulates transcriptional silencing in yeastAbdul Hannan, Neethu Maria Abraham, Siddharth Goyal, et al.Journal of Molecular Modeling|January 13, 2012
Inter- versus intra-molecular cyclization of tripeptides containing tetrahydrofuran amino acids: a density functional theory study on kinetic controlN V Suresh Kumar, U Deva Priyakumar, Harjinder Singh, et al.Microbial Pathogenesis|August 1, 2021
Host metabolic reprogramming in response to SARS-CoV-2 infection: A systems biology approachS T R Moolamalla, Rami Balasubramanian, Ruchi Chauhan, et al.The Journal of Physical Chemistry. A|August 14, 2020
Machine Learning for Accurate Force Calculations in Molecular Dynamics SimulationsPunyaslok Pattnaik, Shampa Raghunathan, Tarun Kalluri, et al.Inorganic Chemistry|September 8, 2022
Tetra-Coordinated Boron-Functionalized Phenanthroimidazole-Based Zinc Salen as a Photocatalyst for the Cycloaddition of CO2 and EpoxidesPrakash Nayak, Anna Chandrasekar Murali, Pradeep Kumar Pal, et al.Nucleic Acids Research|December 5, 2003
Altered structural fluctuations in duplex RNA versus DNA: a conformational switch involving base pair openingYongping Pan, Alexander D MacKerellJournal of Chemical Information and Modeling|September 29, 2007
Binding response: a descriptor for selecting ligand binding site on protein surfacesShijun Zhong, Alexander D MacKerellPlos Computational Biology|July 14, 2009
Computational fragment-based binding site identification by ligand competitive saturationOlgun Guvench, Alexander D MacKerellPageof 49