Evaluating the use of absolute binding free energy in the fragment optimisation process

by Irfan Alibay, Aniket Magarkar, Daniel Seeliger, Philip Charles Biggin
Published 2022-09-01

Atomistic mechanisms of human TRPA1 activation by electrophile irritants through molecular dynamics simulation and mutual information analysis

by Matthew Habgood, David Seiferth, Afroditi-Maria Zaki, Irfan Alibay, Philip C. Biggin
Published 2022-03-01

The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif.

by Petra Lukacik, C David Owen, Gemma Harris, Jani Reddy Bolla, Sarah Picaud, Irfan Alibay, Joanne E Nettleship, Louise E Bird, Raymond J Owens, Philip C Biggin, Panagis Filippakopoulos, Carol V Robinson, Martin A Walsh
Published 2021-01-01

The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif

by Petra Lukacik, C. David Owen, Gemma Harris, Jani Reddy Bolla, Sarah Picaud, Irfan Alibay, Joanne E. Nettleship, Louise E. Bird, Raymond J. Owens, Philip C. Biggin, Panagis Filippakopoulos, Carol V. Robinson, Martin A. Walsh
Published 2021-01-01