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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 18, 2020
A Fragment Library of Natural Products and its Comparative Chemoinformatic CharacterizationAna L Chávez-Hernández, Norberto Sánchez-Cruz, José L Medina-Franco
Molecular Informatics|October 23, 2019
An in silico Approach for Integrating Phenotypic and Target-based Approaches in Drug DiscoveryHiroaki Iwata, Ryosuke Kojima, Yasushi Okuno
Molecular Informatics|August 7, 2021
Chemoinformatic Analysis of Isothiocyanates: Their Impact in Nature and MedicineAraceli Guerrero-Alonso, Mayra Antunez-Mojica, José L Medina-Franco
Molecular 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|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 Fassihi
Molecular Informatics|December 23, 2016
Interaction Mechanism and Clustering among RGD Peptides and IntegrinsXiuli Dong, Yuping Yu, Qi Wang, et al.
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