Journal of Chemical Information and Modeling

Titel Veröffentlichungsdatum Sprache Zitate
Issue Publication Information2017/12/26English
Issue Editorial Masthead2017/12/26English
Issue Editorial Masthead2017/03/27English
Issue Publication Information2017/03/27English
Issue Publication Information2016/06/27English
Issue Editorial Masthead2016/06/27English
Issue Publication Information2018/01/22English
Issue Editorial Masthead2018/01/22English
Issue Editorial Masthead2018/02/26English
Issue Publication Information2018/02/26English
Correction to Insights from Fragment Hit Binding Assays by Molecular Simulations2016/09/23English
Issue Editorial Masthead2016/09/26English
Issue Publication Information2016/09/26English
Umbrella Sampling Simulations of Cardiac Thin Filament Reveal Thermodynamic Consequences of Troponin I Inhibitory Peptide Mutations2023/06/01English
Dissociation Rate Calculation via Constant-Force Steered Molecular Dynamics Simulation2023/05/15English
Cavity Characterization in Supramolecular Cages2023/05/02English
An Interpretable Multitask Framework BiLAT Enables Accurate Prediction of Cyclin-Dependent Protein Kinase Inhibitors2023/05/12English
Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins2023/04/18English
Constructing Innovative Covalent and Noncovalent Compound Libraries: Insights from 3D Protein–Ligand Interactions2024/02/21English
Implementation of IFPTML Computational Models in Drug Discovery Against Flaviviridae Family2024/03/11English
Enhanced Calculation of Property Distributions in Chemical Fragment Spaces2024/03/11English
Issue Publication Information2024/03/11English
Issue Editorial Masthead2024/03/11English
DeePNAP: A Deep Learning Method to Predict Protein–Nucleic Acid Binding Affinity from Their Sequences2024/03/08English
Quantitative Assessment of Energetic Contributions of Residues in a SARS-CoV-2 Viral Enzyme/Nanobody Interface2024/03/09English
Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules Using Convolutional Neural Networks2024/02/29English
Coarse-Grained Crystal Graph Neural Networks for Reticular Materials Design2024/03/08English
Probe Substrate Dependencies in CYP3A4 Allosteric Inhibition: A Novel Molecular Mechanism Involving F–F′ Loop Perturbations2024/03/08English
Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding Sites2024/03/08English
Unraveling Activation-Related Rearrangements and Intrinsic Divergence from Ligand-Specific Conformational Changes of the Dopamine D3 and D2 Receptors2024/03/08English