Search

7 results in Keywords: computational design

Energy

Working Paper

Designing Efficient Tandem Organic Solar Cells with Machine Learning and Genetic Algorithms

Brianna Greenstein, Geoffrey Hutchison

Version 1 posted 19 July 2022

376

Downloads

Organic Chemistry

Working Paper

Molecular Field Analysis Using Computational-Screening Data in Asymmetric N-Heterocyclic Carbene-Copper Catalysis toward Data-driven in silico Catalyst Optimization

Masakiyo Mukai, Kazunori Nagao, Shigeru Yamaguchi, Hirohisa Ohmiya

Version 1 posted 04 August 2021

477

Downloads

Biological and Medicinal Chemistry

Working Paper

Discovery and Structure-Based Design of Macrocyclic Peptides Targeting STUB1

Simon Ng, Alexander Brueckner, Soheila Bahmanjah, Qiaolin Deng, Jennifer Johnston, Lan Ge, Ruchia Duggal, Bahanu Habulihaz, Benjamin Barlock, Sookhee Ha, Ahmad Sadruddin, Constance Yeo, Corey Strickland, Andrea Peier, Brian Henry, Edward Sherer, Anthony Partridge

Version 1 posted 22 December 2021

1,192

Downloads

Citations

Organic Chemistry

Working Paper

Computational Discovery of Molecular C60 Encapsulants with an Evolutionary Algorithm

Marcin Miklitz, Lukas Turcani, Rebecca L. Greenaway, Kim Jelfs

Version 2 posted 13 December 2019

655

Downloads

Organic Chemistry

Working Paper

Computationally-Inspired Discovery of an Unsymmetrical Porous Organic Cage

Enrico Berardo, Rebecca L. Greenaway, Lukas Turcani, Ben M. Alston, Michael J. Bennison, Marcin Miklitz, Rob Clowes, Micheal E. Briggs, Andrew I. Cooper, Kim Jelfs

Version 1 posted 26 July 2018

839

Downloads

Physical Chemistry

Working Paper

DESIGN OF AN APTAMER BY SHAPE COMPLEMENTARITY MAXIMIZATION FOR INSULIN BINDING

Artem E. Kniga

Version 2 posted 22 June 2023

174

Downloads

Theoretical and Computational Chemistry

Working Paper

Computational design of covalently bound dimers for singlet fission

Davide Accomasso, Nadia Ben Amor, Maurizio Persico, Giovanni Granucci

Version 1 posted 14 March 2023

165

Downloads

Search

Refine Search

7 results in computational design in Keywords: computational design

Designing Efficient Tandem Organic Solar Cells with Machine Learning and Genetic Algorithms

Molecular Field Analysis Using Computational-Screening Data in Asymmetric N-Heterocyclic Carbene-Copper Catalysis toward Data-driven in silico Catalyst Optimization

Discovery and Structure-Based Design of Macrocyclic Peptides Targeting STUB1

Computational Discovery of Molecular C60 Encapsulants with an Evolutionary Algorithm

Computationally-Inspired Discovery of an Unsymmetrical Porous Organic Cage

DESIGN OF AN APTAMER BY SHAPE COMPLEMENTARITY MAXIMIZATION FOR INSULIN BINDING

Computational design of covalently bound dimers for singlet fission

7 results in Keywords: computational design