Partitioning into Colloidal Structures of Fasted State Intestinal Fluid Studied by Molecular Dynamics Simulations

por Holmboe, Michael, Larsson, Per, Anwar, Jamshed, Bergström, Christel A. S.
Publicado 2016

Investigating effect of mutation on structure and function of G6PD enzyme: a comparative molecular dynamics simulation study

por Rani, Sadaf, Malik, Fouzia Perveen, Anwar, Jamshed, Zafar Paracha, Rehan
Publicado 2022

Toward the Noninvasive Diagnosis of Alzheimer’s Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β

por Khurshid, Beenish, Rehman, Ashfaq Ur, Muhammad, Shabbir, Wadood, Abdul, Anwar, Jamshed
Publicado 2022

Heparin-Assisted Amyloidogenesis Uncovered through Molecular Dynamics Simulations

por Khurshid, Beenish, Rehman, Ashfaq Ur, Luo, Ray, Khan, Alamzeb, Wadood, Abdul, Anwar, Jamshed
Publicado 2022

Investigations on Anticancer Potentials by DNA Binding and Cytotoxicity Studies for Newly Synthesized and Characterized Imidazolidine and Thiazolidine-Based Isatin Derivatives

por Arshad, Nasima, Mir, Muhammad Ismail, Perveen, Fouzia, Javed, Aneela, Javaid, Memona, Saeed, Aamer, Channar, Pervaiz Ali, Farooqi, Shahid Iqbal, Alkahtani, Saad, Anwar, Jamshed
Publicado 2022

Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale

por Horton, Joshua T., Boothroyd, Simon, Wagner, Jeffrey, Mitchell, Joshua A., Gokey, Trevor, Dotson, David L., Behara, Pavan Kumar, Ramaswamy, Venkata Krishnan, Mackey, Mark, Chodera, John D., Anwar, Jamshed, Mobley, David L., Cole, Daniel J.
Publicado 2022