Biomolecules · Quantitative Biology
In Silico Approaches to Deliver Better Antibodies by Design: The Past, the Present and the Future
Andreas Evers, Shipra Malhotra, Vanita D. Sood
2023-05-15
Quantitative Methods · Quantitative Biology
Decoding Drug Discovery: Exploring A-to-Z In silico Methods for Beginners
Hezha O. Rasul, Dlzar D. Ghafour, Bakhtyar K. Aziz, Bryar A. Hassan +2
2024-12-17
Biomolecules · Quantitative Biology
Applying computational protein design to therapeutic antibody discovery -- current state and perspectives
Weronika Bielska, Igor Jaszczyszyn, Pawel Dudzic, Bartosz Janusz +6
2025-03-04
Quantitative Methods · Quantitative Biology
Artificial Intelligence for In Silico Clinical Trials: A Review
Zifeng Wang, Chufan Gao, Lucas M. Glass, Jimeng Sun
2022-09-20
Quantitative Methods · Quantitative Biology
POSITION PAPER: Credibility of In Silico Trial Technologies: A Theoretical Framing
Marco Viceconti, Miguel A. Juárez, Cristina Curreli, Marzio Pennisi +2
2019-10-25
Biological Physics · Physics
Possible Contexts of Use for In Silico trials methodologies: a consensus-based review
Marco Viceconti, Luca Emili, Payman Afshari, Eulalie Courcelles +14
2021-08-24
Biomolecules · Quantitative Biology
PROflow: An iterative refinement model for PROTAC-induced structure prediction
Bo Qiang, Wenxian Shi, Yuxuan Song, Menghua Wu
2024-05-14
Quantitative Methods · Quantitative Biology
Modeling PROTAC Degradation Activity with Machine Learning
Stefano Ribes, Eva Nittinger, Christian Tyrchan, Rocío Mercado
2024-09-30
Computational Physics · Physics
Computational methods in cardiovascular mechanics
Ferdinando Auricchio, Michele Conti, Adrian Lefieux, Simone Morganti +3
2018-03-14
Quantitative Methods · Quantitative Biology
From multiscale biophysics to digital twins of tissues and organs: future opportunities for in silico pharmacology
Michael Taynnan Barros, Michelangelo Paci, Aapo Tervonen, Elisa Passini +3
2023-06-06
Quantitative Methods · Quantitative Biology
Computer-aided whole-cell design: taking a holistic approach by integrating synthetic with systems biology
Lucia Marucci, Matteo Barberis, Jonathan Karr, Oliver Ray +10
2020-06-05
Quantum Physics · Physics
Quantum-machine-assisted Drug Discovery
Yidong Zhou, Jintai Chen, Jinglei Cheng, Xu Cao +7
2026-01-08
Quantum Physics · Physics
Drug design on quantum computers
Raffaele Santagati, Alan Aspuru-Guzik, Ryan Babbush, Matthias Degroote +11
2024-03-05
Artificial Intelligence · Computer Science
The stochastic digital human is now enrolling for in silico imaging trials -- Methods and tools for generating digital cohorts
A Badano, M Lago, E Sizikova, JG Delfino +3
2026-05-05
Computational Engineering, Finance, and Science · Computer Science
Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner +4
2023-10-12
Materials Science · Physics
A Comprehensive Computational Framework for Materials Design, Ab Initio Modeling, and Molecular Docking
Md Rakibul Karim Akanda, Michael P. Richard
2026-01-08
Soft Condensed Matter · Physics
Inverse methods for design of soft materials
Zachary M. Sherman, Michael P. Howard, Beth A. Lindquist, Ryan B. Jadrich +1
2020-04-13
Quantitative Methods · Quantitative Biology
In silico clinical trials in drug development: a systematic review
Bohua Chen, Lucia Chantal Schneider, Christian Röver, Emmanuelle Comets +14
2026-03-19
Biomolecules · Quantitative Biology
Evolving methods for rational de novo design of functional RNA molecules
Stefan Hammer, Christian Günzel, Mario Mörl, Sven Findeiß
2019-05-13