-conjugated oligopeptides
http://orcid.org/0000-0002-8829-9726
Citations (26)
Keep up to date with the latest research on this topic with citation updates for this article.
Read on this site (1)
N. Adhikari, S. Banerjee, S.K. Baidya, B. Ghosh & T. Jha. (2021) Robust classification-based molecular modelling of diverse chemical entities as potential SARS-CoV-2 3CLpro inhibitors: theoretical justification in light of experimental evidences. SAR and QSAR in Environmental Research 32:6, pages 473-493.
Read now
Read now
Articles from other publishers (25)
Taein Lee, Sayak Subhra Panda, Grant E. K. Hall, Yunjia Song, John D. Tovar & Howard E. Katz. (2023) Relation among absorbance shifts, mineralization morphology, and electronic conductivity of π-peptide aggregates with different amino acid residues. Materials Advances 4:8, pages 1964-1977.
Crossref
Crossref
Chana R. Honick, Sayak S. Panda, Luke R. O’Connor, John D. Tovar & Arthur E. Bragg. (2023) Supramolecular Tuning of Exciton Transport in Pi-Peptide Assemblies. The Journal of Physical Chemistry C 127:3, pages 1310-1319.
Crossref
Crossref
Andrey A. Toropov, Maria Raskova, Ivan RaskaJr.Jr. & Alla P. Toropova. 2023. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES. QSPR/QSAR Analysis Using SMILES and Quasi-SMILES
3
24
.
Andrew L. Ferguson & John D. Tovar. (2022) Evolution of π-Peptide Self-Assembly: From Understanding to Prediction and Control. Langmuir 38:50, pages 15463-15475.
Crossref
Crossref
Tengyi Zhu, Cuicui Tao, Haomiao Cheng & Haibing Cong. (2022) Versatile in silico modelling of microplastics adsorption capacity in aqueous environment based on molecular descriptor and machine learning. Science of The Total Environment 846, pages 157455.
Crossref
Crossref
Federico Fontana & Fabrizio Gelain. (2022)
Modeling of supramolecular biopolymers: Leading the
in silico
revolution of tissue engineering and nanomedicine
. Nanotechnology Reviews 11:1, pages 2965-2996.
Crossref
Crossref
Kirill Shmilovich, Sayak Subhra Panda, Anna Stouffer, John D. Tovar & Andrew L. Ferguson. (2022) Hybrid computational–experimental data-driven design of self-assembling π-conjugated peptides. Digital Discovery 1:4, pages 448-462.
Crossref
Crossref
Ana E. Comesana, Tyler T. Huntington, Corinne D. Scown, Kyle E. Niemeyer & Vi H. Rapp. (2022) A systematic method for selecting molecular descriptors as features when training models for predicting physiochemical properties. Fuel 321, pages 123836.
Crossref
Crossref
Lina S. Prieto Cárdenas, Karen A. Arias Soler, Diana L. Nossa González, Wilson E. Rozo Núñez, Agobardo Cárdenas-Chaparro, Pablo R. Duchowicz & Jovanny A. Gómez Castaño. (2022) In Silico Antiprotozoal Evaluation of 1,4-Naphthoquinone Derivatives against Chagas and Leishmaniasis Diseases Using QSAR, Molecular Docking, and ADME Approaches. Pharmaceuticals 15:6, pages 687.
Crossref
Crossref
Kirill Shmilovich, Yifan Yao, John D. Tovar, Howard E. Katz, André Schleife & Andrew L. Ferguson. (2022) Computational discovery of high charge mobility self-assembling π-conjugated peptides. Molecular Systems Design & Engineering 7:5, pages 447-459.
Crossref
Crossref
Sayak Subhra Panda, Kirill Shmilovich, Nicholas S. M. Herringer, Nicolas Marin, Andrew L. Ferguson & John D. Tovar. (2021) Computationally Guided Tuning of Peptide-Conjugated Perylene Diimide Self-Assembly. Langmuir 37:28, pages 8594-8606.
Crossref
Crossref
Tristan Bereau. (2021) Computational compound screening of biomolecules and soft materials by molecular simulations. Modelling and Simulation in Materials Science and Engineering 29:2, pages 023001.
Crossref
Crossref
Jiaqi Ding, Nan Xu, Manh Tien Nguyen, Qi Qiao, Yao Shi, Yi He & Qing Shao. (2021) Machine learning for molecular thermodynamics. Chinese Journal of Chemical Engineering 31, pages 227-239.
Crossref
Crossref
Patrick W. SimcockMaike BublitzFlaviu CipciganMaxim G. Ryadnov, Jason Crain, Phillip J. StansfeldMark S. P. Sansom. (2021) Membrane Binding of Antimicrobial Peptides Is Modulated by Lipid Charge Modification. Journal of Chemical Theory and Computation 17:2, pages 1218-1228.
Crossref
Crossref
Stephen Whitelam. (2021) Improving the Accuracy of Nearest-Neighbor Classification Using Principled Construction and Stochastic Sampling of Training-Set Centroids. Entropy 23:2, pages 149.
Crossref
Crossref
Bineet Sharma, Yutao Ma, Andrew L. Ferguson & Allen P. Liu. (2020) In search of a novel chassis material for synthetic cells: emergence of synthetic peptide compartment. Soft Matter 16:48, pages 10769-10780.
Crossref
Crossref
Zakari Ya'u Ibrahim, Adamu Uzairu, Gideon Shallangwa & Stephen Abechi. (2020) Theoretical design of novel antimalarial agents against P. falciparum strain, Dd2 through the QSAR modeling of synthesized 2′-substituted triclosan derivatives. Heliyon 6:9, pages e05032.
Crossref
Crossref
Stephen Whitelam, Daniel Jacobson & Isaac Tamblyn. (2020) Evolutionary reinforcement learning of dynamical large deviations. The Journal of Chemical Physics 153:4.
Crossref
Crossref
Kirill Shmilovich, Rachael A. Mansbach, Hythem Sidky, Olivia E. Dunne, Sayak Subhra Panda, John D. Tovar & Andrew L. Ferguson. (2020) Discovery of Self-Assembling π-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation. The Journal of Physical Chemistry B 124:19, pages 3873-3891.
Crossref
Crossref
Stephen Whitelam & Isaac Tamblyn. (2020) Learning to grow: Control of material self-assembly using evolutionary reinforcement learning. Physical Review E 101:5.
Crossref
Crossref
Karteek K. Bejagam, Samrendra K. Singh, Rebecca Ahn & Sanket A. Deshmukh. (2019) Unraveling the Conformations of Backbone and Side Chains in Thermosensitive Bottlebrush Polymers. Macromolecules 52:23, pages 9398-9408.
Crossref
Crossref
Bryce A. Thurston, Ethan P. Shapera, John D. Tovar, André Schleife & Andrew L. Ferguson. (2019) Revealing the Sequence-Structure–Electronic Property Relation of Self-Assembling π-Conjugated Oligopeptides by Molecular and Quantum Mechanical Modeling. Langmuir 35:47, pages 15221-15231.
Crossref
Crossref
Zak E. Hughes, Joseph C. R. ThackerAlex L. WilsonPaul L. A. Popelier. (2018) Description of Potential Energy Surfaces of Molecules Using FFLUX Machine Learning Models. Journal of Chemical Theory and Computation 15:1, pages 116-126.
Crossref
Crossref
Rachael A. Mansbach & Andrew L. Ferguson. (2018) Patchy Particle Model of the Hierarchical Self-Assembly of π-Conjugated Optoelectronic Peptides. The Journal of Physical Chemistry B 122:44, pages 10219-10236.
Crossref
Crossref
Ana E. Comesana, Tyler Huntington, Corinne D. Scown, Kyle E. Niemeyer & Vi Rapp. (2021) A Systematic Method for Selecting Molecular Descriptors as Features When Training Models for Predicting Physiochemical Properties. SSRN Electronic Journal.
Crossref
Crossref