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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|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 Roy
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.
Molecular Informatics|March 1, 2017
Study of Structure-active Relationship for Inhibitors of HIV-1 Integrase LEDGF/p75 Interaction by Machine Learning MethodsYang Li, Yanbin Wu, Aixia Yan
Molecular Informatics|February 22, 2017
Screening for High Conductivity/Low Viscosity Ionic Liquids Using Product DescriptorsShawn Martin, Harry D Pratt, Travis M Anderson
Molecular Informatics|October 7, 2016
Molecular Polarization Potential as a Molecular Descriptor to Predict Biological Activity of Dioxins and DibenzofuransLurdes Roset, Juan J Perez
Molecular Informatics|November 22, 2016
Building Compound Archives for the FutureRichard Lewis, Joakim Deheuvels, Peter Ertl, et al.
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