Steered Molecular Dynamics Simulations for Studying Protein-Ligand Interaction in Cyclin-Dependent Kinase 5. - Jagdish Suresh Patel; Anna Berteotti; Simone Ronsisvalle; Walter Rocchia; Andrea Cavalli (J. Chem. Inf. Model., 2014)

Predicting peak spectral sensitivities of vertebrate cone visual pigments using atomistic molecular simulations. - Jagdish Suresh Patel; Celeste J. Brown; F. Marty Ytreberg; Deborah L. Stenkamp (PLoS Comput. Biol., 2018)

Dynamic Virtual Proteins: Visualization, Interaction and Collaboration in Virtual Reality. - Jean-Marc Gauthier; Ian McGrath; Jagdish Suresh Patel (VRST, 2019)

Short-wavelength-sensitive 2 (Sws2) visual photopigment models combined with atomistic molecular simulations to predict spectral peaks of absorbance. - Dharmeshkumar Patel; Jonathan E. Barnes; Wayne I. L. Davies; Deborah L. Stenkamp; Jagdish Suresh Patel (PLoS Comput. Biol., 2020)

Paired Simulations and Experimental Investigations into the Calcium-Dependent Conformation of Albumin. - Dharmeshkumar Patel; Stephanie L. Haag; Jagdish Suresh Patel; F. Marty Ytreberg; Matthew T. Bernards (J. Chem. Inf. Model., 2022)

Statistical modeling to quantify the uncertainty of FoldX-predicted protein folding and binding stability. - Yesol Sapozhnikov; Jagdish Suresh Patel; F. Marty Ytreberg; Craig R. Miller (BMC Bioinform., 2023)