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Biophysical Journal|February 25, 2014
Ion counting from explicit-solvent simulations and 3D-RISMGeorge M Giambaşu, Tyler Luchko, Daniel Herschlag, et al.Scientific Reports|July 9, 2020
A physics-based energy function allows the computational redesign of a PDZ domainVaitea Opuu, Young Joo Sun, Titus Hou, et al.Ecology and Evolution|April 11, 2020
Investigating a simplified method for noninvasive genetic sampling in East African mammals using silica dried scat swabsAndrew J Tighe, Sarah Overby, Kiera Thurman, et al.Journal of Medicinal Chemistry|May 25, 2018
Docking Screens for Dual Inhibitors of Disparate Drug Targets for Parkinson's DiseaseMariama Jaiteh, Alexey Zeifman, Marcus Saarinen, et al.Biochemistry|January 12, 2013
Proton uptake and pKa changes in the uncoupled Asn139Cys variant of cytochrome c oxidaseAnn-Louise Johansson, Jens Carlsson, Martin Högbom, et al.Ecology and Evolution|January 26, 2019
Identifying spawning sites and other critical habitat in lotic systems using eDNA "snapshots": A case study using the sea lamprey Petromyzon marinus LFiona S A Bracken, Sean M Rooney, Mary Kelly-Quinn, et al.Chemical Science|June 24, 2021
Ligand design by targeting a binding site waterPierre Matricon, R Rama Suresh, Zhan-Guo Gao, et al.The Journal of Biological Chemistry|May 11, 2007
Structures of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase provide new insights into catalysisLena M Henriksson, Torsten Unge, Jens Carlsson, et al.Chemical Communications (Cambridge, England)|November 4, 2021
Fragment-based design of selective GPCR ligands guided by free energy simulationsPierre Matricon, Duc Duy Vo, Zhan-Guo Gao, et al.Journal of Chemical Information and Modeling|November 2, 2018
Variable Neighborhood Search with Cost Function Networks To Solve Large Computational Protein Design ProblemsAntoine Charpentier, David Mignon, Sophie Barbe, et al.Pageof 39