Advances in L-type calcium channel structures, functions and molecular modeling
L Xu, L Sun, L Xie, S Mou, D Zhang… - Current Medicinal …, 2021 - ingentaconnect.com
L-type Calcium Channels (LTCCs), also termed as Cav1, belong to voltage-gated calcium
channels (VGCCs/Cavs), which play a critical role in a wide spectrum of physiological …
channels (VGCCs/Cavs), which play a critical role in a wide spectrum of physiological …
Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing …
YL Weng, SR Naik, N Dingelstad, MR Lugo… - Scientific Reports, 2021 - nature.com
The 2019 novel coronavirus pandemic caused by SARS-CoV-2 remains a serious health
threat to humans and there is an urgent need to develop therapeutics against this deadly …
threat to humans and there is an urgent need to develop therapeutics against this deadly …
Structural insights into SARS‐CoV‐2 main protease conformational plasticity
The spread of different severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2)
variants underscores the need for insights into the structural properties of its structural and …
variants underscores the need for insights into the structural properties of its structural and …
Molecular investigation of contact line movement in electrowetted nanodroplets
Molecular dynamics (MD) simulation of an electrowetted nanodroplet is performed to
understand the fundamental origin of the involved parameters resulted from the molecular …
understand the fundamental origin of the involved parameters resulted from the molecular …
Inhibition of N-type calcium ion channels by tricyclic antidepressants–experimental and theoretical justification for their use for neuropathic pain
A number of tricyclic antidepressants (TCAs) are commonly prescribed off-label for the
treatment of neuropathic pain. The blockade of neuronal calcium ion channels is often …
treatment of neuropathic pain. The blockade of neuronal calcium ion channels is often …
Radiofrequency fields and calcium movements into and out of cells
A Wood, K Karipidis - Radiation Research, 2021 - meridian.allenpress.com
The recent rollout of 5G telecommunications systems has spawned a renewed call to re-
examine the possibility of so-called “non-thermal” harmful effects of radiofrequency (RF) …
examine the possibility of so-called “non-thermal” harmful effects of radiofrequency (RF) …
Decisive structural elements in water and ion permeation through mechanosensitive channels of large conductance: insights from molecular dynamics simulation
In this paper, a series of equilibrium molecular dynamics simulations (EMD), steered
molecular dynamics (SMD), and computational electrophysiology methods are carried out to …
molecular dynamics (SMD), and computational electrophysiology methods are carried out to …
Exploring the potentials of phytochemicals for targeting Coronavirus
S Khanna, A Ganesan… - The Natural Products …, 2022 - ingentaconnect.com
Since the initial outbreak in December 2019, the COVID-19 pandemic caused by the severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has led to more than 3 million …
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has led to more than 3 million …
Deciphering Ca2+ Permeation and Valence Selectivity in Cav1: Molecular Dynamics Simulations Reveal the Three-Ion Knock-on Mechanism
Voltage-gated calcium (Cav) channels are pivotal in cellular signaling due to their selective
calcium ion permeation upon membrane depolarization. While previous studies have …
calcium ion permeation upon membrane depolarization. While previous studies have …
Effects of selective calcium channel blockers on ions' permeation through the human Cav1. 2 ion channel: A computational study
FES Mosa, C Suryanarayanan, T Feng… - Journal of Molecular …, 2021 - Elsevier
Selective calcium channel antagonists are widely used in the treatment of cardiovascular
disorders. They are mainly classified into 1, 4-dihydropyridine (1, 4-DHPs) and non-DHPs …
disorders. They are mainly classified into 1, 4-dihydropyridine (1, 4-DHPs) and non-DHPs …