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期刊文献 > J Chem Inf Model期刊 选择月份
2023 Aug (2)
2023 Jun (2)
2023 Apr (3)
1. Targeting Troponin C with Small Molecules Containing Diphenyl Moieties: Calcium Sensitivity Effects on Striated Muscles and Structure-Activity Relationship.
J Chem Inf Model
2023 Jun 12
Hantz ER, Tikunova SB, Belevych N
2. Integrative Approach to Dissect the Drug Resistance Mechanism of the H172Y Mutation of SARS-CoV-2 Main Protease.
J Chem Inf Model
2023 Jun 12
Clayton J, de Oliveira VM, Ibrahim MF
3. De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework.
J Chem Inf Model
2023 Aug 28
Salas-Estrada L, Provasi D, Qiu X
4. Markov State Models and Perturbation-Based Approaches Reveal Distinct Dynamic Signatures and Hidden Allosteric Pockets in the Emerging SARS-Cov-2 Spike Omicron Variant Complexes with the Host Receptor: The Interplay of Dynamics and Convergent Evolution Modulates Allostery and Functional Mechanisms.
J Chem Inf Model
2023 Aug 28
Xiao S, Alshahrani M, Gupta G
5. Interaction Patterns of Pyrazolopyrimidines with Receptor Proteins.
J Chem Inf Model
2023 Apr 24
Verma M, Trivedi L, Vasudev PG.
6. Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series.
J Chem Inf Model
2023 Apr 24
Sabanés Zariquiey F, Pérez A, Majewski M
7. Structure-Kinetics Relationships of Opioids from Metadynamics and Machine Learning Analysis.
J Chem Inf Model
2023 Apr 10
Mahinthichaichan P, Liu R, Vo QN
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