[ASAP] Glycine Active Sites Analysis from a Geometrical Perspective: A DFT Study
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c00666 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - June 2, 2023 Category: Chemistry Authors: L. C. Duque-Ossa, Mark Volin Bolok-Russek, and Jose ́ Angel Reyes-Retana Source Type: research
[ASAP] Structural and Dynamic Alteration of Glycated Human Serum Albumin in Schiff Base and Amadori Adducts: A Molecular Simulation Study
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c02048 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - June 2, 2023 Category: Chemistry Authors: Sirin Sittiwanichai, Deanpen Japrung, Toshifumi Mori, and Prapasiri Pongprayoon Source Type: research
[ASAP] Which Physical Phenomena Determines the Ionization Potential of Liquid Water?
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.2c07639 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - June 2, 2023 Category: Chemistry Authors: Jessica A. Martinez B, Lukas Paetow, Johannes To ̈lle, Xuecheng Shao, Pablo Ramos, Johannes Neugebauer, and Michele Pavanello Source Type: research
[ASAP] Molecular Insights into the Self-Assembly of a Full-Length hIAPP Trimer: β‑Protofibril Formed by β‑Hairpin Lateral or Longitudinal Association
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c02633 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - June 1, 2023 Category: Chemistry Authors: Rongmei Lin, Guoning Tang, Zhonggui Gao, Jiangtao Lei, Buyong Ma, and Yuxiang Mo Source Type: research
[ASAP] Long-Lived Weak Ion Pairs in Ionic Liquids: An Insight from All-Atom Molecular Dynamics Simulations
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c01559 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - June 1, 2023 Category: Chemistry Authors: Linbo Ma, Zhixuan Zhong, Junbao Hu, Leying Qing, and Jian Jiang Source Type: research
[ASAP] Robust Estimation of Position-Dependent Anisotropic Diffusivity Tensors from Stochastic Trajectories
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c00670 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - June 1, 2023 Category: Chemistry Authors: Tiago S. Domingues, Ronald R. Coifman, and Amir Haji-Akbari Source Type: research
[ASAP] Entropy Scaling of Molecular Dynamics in a Prototypical Anisotropic Model near the Glass Transition
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c02429 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - May 31, 2023 Category: Chemistry Authors: Karol Liszka, Andrzej Grzybowski, Katarzyna Grzybowska, Kajetan Koperwas, and Marian Paluch Source Type: research
[ASAP] Investigating the Impact of the Glycolipid Content on Aurein 1.2 Pores in Prokaryotic Model Bilayers: A Coarse-Grain Molecular Dynamics Simulation Study
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c01053 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - May 31, 2023 Category: Chemistry Authors: G. E. Balatti, M. F. Martini, and M. Pickholz Source Type: research
[ASAP] Investigating the Activation Mechanism Differences between Human and Mouse cGAS by Molecular Dynamics Simulations
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c02377 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - May 30, 2023 Category: Chemistry Authors: Dejia Liu, Hong Zhang, Yu-Peng Huang, and Yi Qin Gao Source Type: research
[ASAP] Coarse-Grained Model of Phytic Acid for Predicting the Supramolecular Architecture of Ionically Cross-Linked Chitosan Hydrogels
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c02115 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - May 30, 2023 Category: Chemistry Authors: Raluca M. Visan and Daniel G. Angelescu Source Type: research
[ASAP] Examination of Solvent Interactions with Trp-Cage in 1,1,1,3,3,3-Hexafluoro-2-propanol-water at 298 K through MD Simulations and Intermolecular Nuclear Overhauser Effects
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c01029 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - May 30, 2023 Category: Chemistry Authors: J. T. Gerig Source Type: research
[ASAP] Janus Ligand-Tethered Nanoparticles at Liquid –Liquid Interfaces
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c01943 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - May 29, 2023 Category: Chemistry Authors: Magorzata Boro ́wko, Tomasz Staszewski, and Joanna Tomasik Source Type: research
[ASAP] In Silico Evaluation of the Binding Energies of Androgen Receptor Agonists in Wild-Type and Mutational Models
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c01103 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - May 29, 2023 Category: Chemistry Authors: Ana Camila Campelo Albuquerque, Katyanna Sales Bezerra, Je ́ssica de Fátima Vianna, Sabrynna Oliveira Batista, José Xavier de Lima Neto, Daniel Melo de Oliveira Campos, Jonas Ivan Nobre Oliveira, Douglas Soares Galvão, and Umberto Laino Fulco Source Type: research
[ASAP] Effect of Cas9 Protein on the Seed-Target Base Pair of the sgRNA/DNA Hybrid Duplex
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c00997 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - May 27, 2023 Category: Chemistry Authors: Ting Yu, Taigang Liu, Yujie Wang, Xuanlin Zhao, and Wenbing Zhang Source Type: research
[ASAP] Single-Cell Level Raman Molecular Profiling Reveals the Classification of Growth Phases of < italic toggle="yes" > Chaetoceros tenuissimus < /italic >
The Journal of Physical Chemistry BDOI: 10.1021/acs.jpcb.3c02152 (Source: Journal of Physical Chemistry B)
Source: Journal of Physical Chemistry B - May 27, 2023 Category: Chemistry Authors: Masahiro Ando, Kaori Sugiyama, Koya Kubo, Shumpei Horii, Takeshi Hano, Yuji Tomaru, and Haruko Takeyama Source Type: research
