Structure and dynamics of cardiotoxins

AG Konshina, PV Dubovskii… - Current Protein and …, 2012 - ingentaconnect.com
Cytotoxins (or cardiotoxins; CTs) are toxins from cobra venom characterized by the three-
finger (TF) fold. CTs are on average 60-residue-long peptides, possessing as many as 4 …

Effective energy function for proteins in lipid membranes

T Lazaridis - Proteins: Structure, Function, and Bioinformatics, 2003 - Wiley Online Library
A simple extension of the EEF1 energy function to heterogeneous membrane‐aqueous
media is proposed. The extension consists of (a) development of solvation parameters for a …

Long time dynamic simulations: exploring the folding pathways of an Alzheimer's amyloid Aβ-peptide

JE Straub, J Guevara, S Huo… - Accounts of chemical …, 2002 - ACS Publications
We describe the MaxFlux algorithm for the computation of likely pathways for global
macromolecular conformational transitions. The algorithm assumes an overdamped …

Temperature-sensitive gating of TRPV1 channel as probed by atomistic simulations of its trans-and juxtamembrane domains

AO Chugunov, PE Volynsky, NA Krylov, DE Nolde… - Scientific reports, 2016 - nature.com
Heat-activated transient receptor potential channel TRPV1 is one of the most studied
eukaryotic proteins involved in temperature sensation. Upon heating, it exhibits rapid …

Parameter optimized surfaces (POPS): analysis of key interactions and conformational changes in the ribosome

F Fraternali, L Cavallo - Nucleic acids research, 2002 - academic.oup.com
We present a new method for the calculation of solvent accessible surface areas at the
atomic and residue levels, which we call parameter optimized surfaces (POPS-A and POPS …

A lipophilicity-based energy function for membrane-protein modelling and design

JY Weinstein, A Elazar… - PLoS computational …, 2019 - journals.plos.org
Membrane-protein design is an exciting and increasingly successful research area which
has led to landmarks including the design of stable and accurate membrane-integral …

Spatial Structure and Activity Mechanism of a Novel Spider Antimicrobial Peptide,

PV Dubovskii, PE Volynsky, AA Polyansky… - Biochemistry, 2006 - ACS Publications
Latarcins (Ltc), linear peptides (ca. 25 amino acid long) isolated from the venom of the
Lachesana tarabaevi spider, exhibit a broad-spectrum antibacterial activity, most likely …

Three-Dimensional Structure/Hydrophobicity of Latarcins Specifies Their Mode of Membrane Activity,

PV Dubovskii, PE Volynsky, AA Polyansky… - Biochemistry, 2008 - ACS Publications
Latarcins, linear peptides from the Lachesana tarabaevi spider venom, exhibit a broad-
spectrum antimicrobial activity, likely acting on the bacterial cytoplasmic membrane. We …

Peptides and proteins in membranes: what can we learn via computer simulations?

RG Efremov, DE Nolde, AG Konshina… - Current medicinal …, 2004 - ingentaconnect.com
Membrane and membrane-active peptides and proteins play a crucial role in numerous cell
processes, such as signaling, ion conductance, fusion, and others. Many of them act as …

Factors important for fusogenic activity of peptides: molecular modeling study of analogs of fusion peptide of influenza virus hemagglutinin

RG Efremov, DE Nolde, PE Volynsky… - FEBS …, 1999 - Wiley Online Library
Nine analogs of fusion peptide of influenza virus hemagglutinin whose membrane
perturbation activity has been thoroughly tested [Murata et al.(1992) Biochemistry 31, 1986 …