Jason Crain

According to our database, Jason Crain authored at least 6 papers between 2010 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2022

Accelerating Inhibitor Discovery for Multiple SARS-CoV-2 Targets with a Single, Sequence-Guided Deep Generative Framework.

Vijil Chenthamarakshan, Samuel C. Hoffman, C. David Owen, Petra Lukacik, Claire Strain-Damerell, Daren Fearon, Tika R. Malla, Anthony Tumber, Christopher J. Schofield, Helen M. E. Duyvesteyn, Wanwisa Dejnirattisai, Loic Carrique, Thomas S. Walter, Gavin R. Screaton, Tetiana Matviiuk, Aleksandra Mojsilovic, Jason Crain, Martin A. Walsh, David I. Stuart, Payel Das

CoRR, 2022

2021

Membrane Permeability in Cyclic Peptides is Modulated by Core Conformations.

Flaviu S. Cipcigan, Paul Smith, Jason Crain, Anders Hogner, Leonardo De Maria, Antonio Llinàs, Ekaterina Ratkova

J. Chem. Inf. Model., 2021

Simulation of large molecular systems with electronically-derived forces.

Jony Castangna, Fausto Martelli, Kirk E. Jordan, Jason Crain

Comput. Phys. Commun., 2021

2020

Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics.

Payel Das, Tom Sercu, Kahini Wadhawan, Inkit Padhi, Sebastian Gehrmann, Flaviu S. Cipcigan, Vijil Chenthamarakshan, Hendrik Strobelt, Cícero Nogueira dos Santos, Pin-Yu Chen, Yi Yan Yang, Jeremy Tan, James Hedrick, Jason Crain, Aleksandra Mojsilovic

CoRR, 2020

2016

Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed.

Flaviu S. Cipcigan, Vlad P. Sokhan, Jason Crain, Glenn J. Martyna

J. Comput. Phys., 2016

2010

Multi-Factorial Analysis of Class Prediction Error: Estimating Optimal Number of Biomarkers for Various Classification Rules.

Mizanur R. Khondoker, Till T. Bachmann, Muriel Mewissen, Paul Dickinson, Bartosz Dobrzelecki, Colin J. Campbell, Andrew R. Mount, Anthony J. Walton, Jason Crain, Holger Schulze, Gerard Giraud, Alan J. Ross, Ilenia Ciani, Stuart W. J. Ember, Chaker Tlili, Jonathan G. Terry, Eilidh Grant, Nicola McDonnell, Peter Ghazal

J. Bioinform. Comput. Biol., 2010