Applications of MMPBSA to Membrane Proteins I: Efficient Numerical Solutions of Periodic Poisson-Boltzmann Equation

Por Botello-Smith, Wesley M., Luo, Ray
Publicado no J Chem Inf Model (2015)

Acceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units

Por Qi, Ruxi, Botello-Smith, Wesley M., Luo, Ray
Publicado no J Chem Theory Comput (2017)

Probing the gating mechanism of the mechanosensitive channel Piezo1 with the small molecule Yoda1

Por Lacroix, Jerome J., Botello-Smith, Wesley M., Luo, Yun
Publicado no Nat Commun (2018)

Numerical Poisson-Boltzmann Model for Continuum Membrane Systems

Por Botello-Smith, Wesley M., Liu, Xingping, Cai, Qin, Li, Zhilin, Zhao, Hongkai, Luo, Ray
Publicado em 2012

Modeling Membrane Protein–Ligand Binding Interactions: The Human Purinergic Platelet Receptor

Por Greene, D'Artagnan, Botello-Smith, Wesley M., Follmer, Alec, Xiao, Li, Lambros, Eleftherios, Luo, Ray
Publicado no J Phys Chem B (2016)

Polymodal allosteric regulation of Type 1 Serine/Threonine Kinase Receptors via a conserved electrostatic lock

Por Botello-Smith, Wesley M., Alsamarah, Abdelaziz, Chatterjee, Payal, Xie, Chen, Lacroix, Jerome J., Hao, Jijun, Luo, Yun
Publicado no PLoS Comput Biol (2017)

Molecular Mechanism of Resveratrol’s Lipid Membrane Protection

Por Fei, Qinqin, Kent, David, Botello-Smith, Wesley M., Nur, Fariah, Nur, Saadia, Alsamarah, Abdelaziz, Chatterjee, Payal, Lambros, Maria, Luo, Yun
Publicado no Sci Rep (2018)

Can Relative Binding Free Energy Predict Selectivity of Reversible Covalent Inhibitors?

Por Chatterjee, Payal, Botello-Smith, Wesley M., Zhang, Han, Qian, Li, Alsamarah, Abdelaziz, Kent, David, Lacroix, Jerome J., Baudry, Michel, Luo, Yun
Publicado no J Am Chem Soc (2017)

The connexin26 human mutation N14K disrupts cytosolic intersubunit interactions and promotes channel opening

Por Valdez Capuccino, Juan M., Chatterjee, Payal, García, Isaac E., Botello-Smith, Wesley M., Zhang, Han, Harris, Andrew L., Luo, Yun, Contreras, Jorge E.
Publicado no J Gen Physiol (2019)

Critical Structural and Functional Roles for the N-Terminal Insertion Sequence in Surfactant Protein B Analogs

Por Walther, Frans J., Waring, Alan J., Hernandez-Juviel, Jose M., Gordon, Larry M., Wang, Zhengdong, Jung, Chun-Ling, Ruchala, Piotr, Clark, Andrew P., Smith, Wesley M., Sharma, Shantanu, Notter, Robert H.
Publicado em 2010