Jason Crain

Publication Activity (10 Years)

Years Active: 2010-2022
Publications (10 Years): 5

Top Topics

Molecular Dynamics

Predictive Power

Multiple Targets

Generative Model

Top Venues

J. Comput. Phys.

Comput. Phys. Commun.

J. Chem. Inf. Model.

Publications

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
Accelerating Inhibitor Discovery for Multiple SARS-CoV-2 Targets with a Single, Sequence-Guided Deep Generative Framework. CoRR (2022)
Jony Castangna, Fausto Martelli, Kirk E. Jordan, Jason Crain
Simulation of large molecular systems with electronically-derived forces. Comput. Phys. Commun. 264 (2021)
Flaviu S. Cipcigan, Paul Smith, Jason Crain, Anders Hogner, Leonardo De Maria, Antonio Llinas, Ekaterina Ratkova
Membrane Permeability in Cyclic Peptides is Modulated by Core Conformations. J. Chem. Inf. Model. 61 (1) (2021)
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
Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics. CoRR (2020)
Flaviu S. Cipcigan, Vlad P. Sokhan, Jason Crain, Glenn J. Martyna
Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed. J. Comput. Phys. 326 (2016)
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
Multi-Factorial Analysis of Class Prediction Error: Estimating Optimal Number of Biomarkers for Various Classification Rules. J. Bioinform. Comput. Biol. 8 (6) (2010)