Ion and water interactions with a biomimetic nanopore: molecular dynamics with effective polarization by Phan, LX, Lynch, CI, Crain, J, Sansom, MSP, Tucker, SJ

Influence of effective polarization on ion and water interactions within a biomimetic nanopore by Phan, LX, Lynch, CI, Crain, J, Sansom, MSP, Tucker, SJ

Structure of aqueous proline via parallel tempering molecular dynamics and neutron diffraction. by Troitzsch, R, Martyna, G, McLain, SE, Soper, A, Crain, J

Coarse-grained intermolecular interactions on quantum processors by Anderson, LW, Kiffner, M, Barkoutsos, PK, Tavernelli, I, Crain, J, Jaksch, D

Influence of electronic polarization on the binding of anions to a chloride-pumping rhodopsin by Phan, LX, Chamorro, VC, Martinez-Seara, H, Crain, J, Sansom, MSP, Tucker, SJ

Membrane binding of antimicrobial peptides is modulated by lipid charge modification by Simcock, P, Bublitz, M, Cipcigan, F, Stansfeld, P, Crain, J, Ryadnov, MG, Sansom, MSP

Anti-antimicrobial peptides: folding-mediated host defense antagonists. by Ryan, L, Lamarre, B, Diu, T, Ravi, J, Judge, P, Temple, A, Carr, M, Cerasoli, E, Su, B, Jenkinson, H, Martyna, G, Crain, J, Watts, A, Ryadnov, MG

Tuneable poration: host defense peptides as sequence probes for antimicrobial mechanisms by Pfeil, M-P, Pyne. ALB, Losasso. V, Ravi, J, Lamarre, B, Faruqui, N, Alkassem, H, Hammond, K, Judge, PJ, Winn, M, Martyna, GJ, Crain, J, Watts, A, Hoogenboom, BW, Ryadnov, MG

Nanoscale imaging reveals laterally expanding antimicrobial pores in lipid bilayers. by Rakowska, P, Jiang, H, Ray, S, Pyne, A, Lamarre, B, Carr, M, Judge, P, Ravi, J, Gerling, U, Koksch, B, Martyna, G, Hoogenboom, B, Watts, A, Crain, J, Grovenor, C, Ryadnov, MG

Accelerating drug target inhibitor discovery with a deep generative foundation model by Chenthamarakshan, V, Hoffman, SC, Owen, CD, Lukacik, P, Strain-Damerell, C, Fearon, D, Malla, TR, Tumber, A, Schofield, CJ, Duyvesteyn, HME, Dejnirattisai, W, Carrique, L, Walter, TS, Screaton, GR, Matviiuk, T, Mojsilovic, A, Crain, J, Walsh, MA, Stuart, DI, Das, P