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Molecular Informatics|August 17, 2016
Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen BondsMarta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, et al.Molecular Informatics|June 20, 2020
D-Peptide Builder: A Web Service to Enumerate, Analyze, and Visualize the Chemical Space of Combinatorial Peptide LibrariesBárbara I Díaz-Eufracio, Oscar Palomino-Hernández, Aarón Arredondo-Sánchez, et al.Molecular Informatics|April 10, 2020
The SAR Matrix Method and an Artificially Intelligent Variant for the Identification and Structural Organization of Analog Series, SAR Analysis, and Compound DesignAtsushi Yoshimori, Jürgen BajorathMolecular Informatics|April 18, 2020
A Fragment Library of Natural Products and its Comparative Chemoinformatic CharacterizationAna L Chávez-Hernández, Norberto Sánchez-Cruz, José L Medina-FrancoMolecular Informatics|October 23, 2019
An in silico Approach for Integrating Phenotypic and Target-based Approaches in Drug DiscoveryHiroaki Iwata, Ryosuke Kojima, Yasushi OkunoMolecular Informatics|August 7, 2021
Chemoinformatic Analysis of Isothiocyanates: Their Impact in Nature and MedicineAraceli Guerrero-Alonso, Mayra Antunez-Mojica, José L Medina-FrancoMolecular Informatics|August 11, 2021
ACE2-Variants Indicate Potential SARS-CoV-2-Susceptibility in Animals: A Molecular Dynamics StudySzymon Pach, Trung Ngoc Nguyen, Jakob Trimpert, et al.Molecular Informatics|May 29, 2020
Chemometric Modelling of Heat Release Capacity, Total Heat Release and Char Formation of Polymers to Assess Their Flammability CharacteristicsPathan Mohsin Khan, Kunal RoyMolecular Informatics|October 13, 2016
Anti-HIV-1 Activity Prediction of Novel Gp41 Inhibitors Using Structure-Based Virtual Screening and Molecular Dynamics SimulationSaghi Sepehri, Lotfollah Saghaie, Afshin FassihiMolecular Informatics|December 23, 2016
Interaction Mechanism and Clustering among RGD Peptides and IntegrinsXiuli Dong, Yuping Yu, Qi Wang, et al.Pageof 102