Showing results (431-440 of 9,086) with videos related to
Sort By:
Pageof 909
Journal of Chemical Information and Modeling|February 12, 2019
Assessing the Conformational Equilibrium of Carboxylic Acid via Quantum Mechanical and Molecular Dynamics Studies on Acetic AcidVictoria T Lim, Christopher I Bayly, Laszlo Fusti-Molnar, et al.Journal of Chemical Information and Modeling|February 13, 2019
Imputation of Assay Bioactivity Data Using Deep LearningT M Whitehead, B W J Irwin, P Hunt, et al.Journal of Chemical Information and Modeling|January 29, 2019
Computational Insights into the Catalytic Mechanism of Bacterial Carboxylic Acid ReductaseGe Qu, Mingxing Fu, Lili Zhao, et al.Journal of Chemical Information and Modeling|January 29, 2019
Rational Use of Heterogeneous Data in Quantitative Structure-Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase InhibitorsAlexey A Lagunin, Athina Geronikaki, Phaedra Eleftheriou, et al.Journal of Chemical Information and Modeling|January 5, 2019
Mechanism of Hormone Peptide Activation of a GPCR: Angiotensin II Activated State of AT1R Initiated by van der Waals AttractionKhuraijam Dhanachandra Singh, Hamiyet Unal, Russell Desnoyer, et al.Journal of Chemical Information and Modeling|December 8, 2020
LEADS-FRAG: A Benchmark Data Set for Assessment of Fragment Docking PerformanceLaura Chachulski, Björn WindshügelJournal of Chemical Information and Modeling|December 9, 2020
ITScore-NL: An Iterative Knowledge-Based Scoring Function for Nucleic Acid-Ligand InteractionsYuyu Feng, Sheng-You HuangJournal of Chemical Information and Modeling|December 1, 2020
A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand PosesFlorian Flachsenberg, Agnes Meyder, Kai Sommer, et al.Journal of Chemical Information and Modeling|December 1, 2020
Application of Molecular Dynamics Simulations to the Design of Nucleotide Inhibitors Binding to Norovirus PolymeraseHolly Freedman, Juthika Kundu, Egor Petrovitch Tchesnokov, et al.Journal of Chemical Information and Modeling|December 1, 2020
Stereospecific Inhibition of Ethanol Potentiation on Glycine Receptor by M554 StereoisomersPilar A Vásquez, Loreto San Martín, Yenifer Argel, et al.Pageof 909