Molecular Dynamic Simulation Analysis on the Inclusion Complexation of Plumbagin with β-Cyclodextrin Derivatives in Aqueous Solution

por Kulpavee Jitapunkul, Pisanu Toochinda, Luckhana Lawtrakul
Publicado 2021

Multiscale Modeling of Amyloid Fibrils Formed by Aggregating Peptides Derived from the Amyloidogenic Fragment of the A-Chain of Insulin

por Michał Koliński, Robert Dec, Wojciech Dzwolak
Publicado 2021

Markov state models of proton- and pore-dependent activation in a pentameric ligand-gated ion channel

por Cathrine Bergh, Stephanie A Heusser, Rebecca Howard, Erik Lindahl
Publicado 2021

Nitrogenation of Amorphous Silicon : Reactive Molecular Dynamics Simulations

por Mauludi Ariesto Pamungkas, Choirun Nisa, Istiroyah Istiroyah, Abdurrouf Abdurrouf
Publicado 2019

Assessment of the Contribution of a Thermodynamic and Mechanical Destabilization of Myosin-Binding Protein C Domain C2 to the Pathomechanism of Hypertrophic Cardiomyopathy-Causing...

por Frederic V. Schwäbe, Emanuel K. Peter, Manuel H. Taft, Dietmar J. Manstein
Publicado 2021

Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics

por Piotr Bełdowski, Maciej Przybyłek, Przemysław Raczyński, Andra Dedinaite, Krzysztof Górny, Florian Wieland, Zbigniew Dendzik, Alina Sionkowska, Per M. Claesson
Publicado 2021

Drug Repositioning For Allosteric Modulation of VIP and PACAP Receptors

por Ingrid Langer, Dorota Latek
Publicado 2021

Missense Mutations Modify the Conformational Ensemble of the α-Synuclein Monomer Which Exhibits a Two-Phase Characteristic

por Adrien Guzzo, Patrice Delarue, Ana Rojas, Adrien Nicolaï, Gia G. Maisuradze, Patrick Senet, Patrick Senet
Publicado 2021

Beta-o-glicosilación de péptidos que incorporan aminoácidos no naturales

por Fernández Tejada, Alberto
Publicado 2009

Computational Assessment of <i>Botrytis cinerea</i> Lipase for Biofuel Production

por Tehsin Fatma, Zeeshan Zafar, Sidra Fatima, Rehan Zafar Paracha, Fazal Adnan, Zeshan, Nasar Virk, Muhammad Faraz Bhatti
Publicado 2021

<italic toggle="yes">In Silico</italic> Structure-Based Repositioning of Approved Drugs for Spike Glycoprotein S2 Domain Fusion Peptide of SARS-CoV-2: Rationale from Molecular Dyna...

por Nishant Shekhar, Phulen Sarma, Manisha Prajapat, Pramod Avti, Hardeep Kaur, Anupam Raja, Harvinder Singh, Anusuya Bhattacharya, Saurabh Sharma, Subodh Kumar, Ajay Prakash, Bikash Medhi
Publicado 2020

Simulation of pH-Dependent Conformational Transitions in Membrane Proteins: The CLC-ec1 Cl⁻/H⁺ Antiporter

por Ekaterina Kots, Derek M. Shore, Harel Weinstein
Publicado 2021

Molecular Dynamics Study on Ductile Behavior of SiC during Nanoindentation

por Takuya Hanashiro, Ken-ichi Saitoh, Tomohiro Sato, Kenji Nishimura, Masanori Takuma, Yoshimasa Takahashi
Publicado 2016

Macroscopic No-Slip Boundary Condition Confirmed in Full Atomistic Simulation of Oil Film

por Hitoshi Washizu, Shi-aki Hyodo, Toshihide Ohmori, Noriaki Nishino, Atsushi Suzuki
Publicado 2014

Molecular Dynamics Simulation of Gas Molecules Dissolved in Lubricant under Shear

por Tetsuya Okumura, Joichi Sugimura
Publicado 2009

Bioinspired supramolecular nanofiber hydrogel through self-assembly of biphenyl-tripeptide for tissue engineering

por Yong Sun, Xing Li, Mingda Zhao, Yafang Chen, Yang Xu, Kefeng Wang, Shaoquan Bian, Qing Jiang, Yujiang Fan, Xingdong Zhang
Publicado 2022

Estimating Factors Determining Emulsification Capability of Surfactant-Like Peptide with Coarse-Grained Molecular Dynamics Simulation

por Tegar Wijaya, Rukman Hertadi
Publicado 2019

Molecular Dynamics Simulation of Wetting on Wavelike Nanorough Surfaces

por Claudiu Valentin Suciu, Hozumi Goto, Naoko Gouya
Publicado 2011

Molecular Dynamics Simulation of Energy Dissipation Process in Atomic-Scale Stick-Slip Phenomenon

por Jun Shimizu, Libo Zhou, Takeyuki Yamamoto
Publicado 2013