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Journal of Computational Chemistry|December 25, 2009
Basic ingredients of free energy calculations: a reviewClara D Christ, Alan E Mark, Wilfred F van GunsterenGenomics, Proteomics & Bioinformatics|June 19, 2007
A brief review of short tandem repeat mutationHao Fan, Jia-You ChuThe Open Respiratory Medicine Journal|August 31, 2010
Regulation of Human MUC7 Mucin Gene Expression by Cigarette Smoke Extract or Cigarette Smoke and Pseudomonas aeruginosa Lipopolysaccharide in Human Airway Epithelial Cells and in MUC7 Transgenic MiceHao Fan, Libuse A BobekJournal of Chemical Theory and Computation|November 11, 2017
Optimization of Empirical Force Fields by Parameter Space Mapping: A Single-Step Perturbation ApproachMartin Stroet, Katarzyna B Koziara, Alpeshkumar K Malde, et al.Biochimica Et Biophysica Acta|January 3, 2016
Understanding the accumulation of P-glycoprotein substrates within cells: The effect of cholesterol on membrane partitioningNandhitha Subramanian, Alexandra Schumann-Gillett, Alan E Mark, et al.Journal of the American Chemical Society|June 6, 2003
Simulation of pore formation in lipid bilayers by mechanical stress and electric fieldsD Peter Tieleman, Hari Leontiadou, Alan E Mark, et al.ACS Applied Materials & Interfaces|August 27, 2020
Evolution and Morphology of Thin Films Formed by Solvent Evaporation: An Organic Semiconductor Case StudyThomas Lee, Audrey V Sanzogni, Paul L Burn, et al.Biophysical Journal|September 10, 2005
A molecular dynamics study of the formation, stability, and oligomerization state of two designed coiled coils: possibilities and limitationsAngel Piñeiro, Alessandra Villa, Toni Vagt, et al.Journal of Chemical Information and Modeling|December 13, 2018
Probing the Pharmacological Binding Sites of P-Glycoprotein Using Umbrella Sampling SimulationsNandhitha Subramanian, Alexandra Schumann-Gillett, Alan E Mark, et al.ACS Medicinal Chemistry Letters|June 6, 2014
Missing fragments: detecting cooperative binding in fragment-based drug designPramod C Nair, Alpeshkumar K Malde, Nyssa Drinkwater, et al.Pageof 83