Author details

Full Name

Martin Zacharias

Affiliation

ORCID

Career Start Year

1986

Papers

302

H Index

Expertise

CM4AI Collaborator

PMID	Paper Title	Journal Title	Published Year
36540025	The development of nucleic acids force fields: From an unchallenged past to a competitive future.		2023
35543776	Hemoptoe, thin-walled lung cysts, and spontaneous pneumothorax are features of metastatic cutaneous angiosarcoma : A caseÂ report.	Wiener Medizinische Wochenschrift	2023
37657438	Efficient and accurate calculation of proline cis/trans isomerization free energies from Hamiltonian replica exchange molecular dynamics simulations.		2023
37283766	Basement membrane product, endostatin, as a link between inflammation, coagulation and vascular permeability in COVID-19 and non-COVID-19 acute respiratory distress syndrome.		2023
37112888	Multifactorial White Matter Damage in the Acute Phase and Pre-Existing Conditions May Drive Cognitive Dysfunction after SARS-CoV-2 Infection: Neuropathology-Based Evidence.	Viruses	2023
34648221	Match_Motif: A rapid computational tool to assist in protein-protein interaction design.	Protein Science	2022
36314723	Intramembrane client recognition potentiates the chaperone functions of calnexin.	EMBO Journal	2022
35910228	Case Report: DPM1-CDG: Novel Variant with Severe Phenotype and Literature Review.	Frontiers in Genetics	2022
36042776	Rapid peptide exchange on MHC class I by small molecules elucidates dynamics of bound peptide.	Current Research in Immunology	2022
35841533	Analysis of amyloidogenic transthyretin mutations using continuum solvent free energy calculations.	Proteins: Structure, Function and Bioinformatics	2022
35453606	The Impact of Prolonged Inflammation on Wound Healing.	Biomedicines	2022
35393611	Dissociation of Î²2m from MHC class I triggers formation of noncovalent transient heavy chain dimers.	Journal of Cell Science	2022
35579427	Active site geometry stabilization of a presenilin homolog by the lipid bilayer promotes intramembrane proteolysis.	eLife	2022
36070377	Pronounced sequence specificity of the TET enzyme catalytic domain guides its cellular function.	Sci Adv	2022
35936273	Resilience and Protection of Health Care and Research Laboratory Workers During the SARS-CoV-2 Pandemic: Analysis and Case Study From an Austrian High Security Laboratory.	Frontiers in Psychology	2022
35992303	Host and microbiome features of secondary infections in lethal covid-19.	iScience	2022
35796487	Explicit solvent repulsive scaling replica exchange molecular dynamics (RS-REMD) in molecular modeling of protein-glycosaminoglycan complexes.	Journal of Computational Chemistry	2022
35549273	Nearest-Neighbor dsDNA Stability Analysis Using Alchemical Free-Energy Simulations.	Journal of Physical Chemistry B	2022
35606349	ADAMTS4-specific MR probe to assess aortic aneurysms in vivo using synthetic peptide libraries.	Nature Communications	2022
36258668	Fast peptide exchange on major histocompatibility complex class I molecules by acidic stabilization of a peptide-empty intermediate.	Protein Science	2022
36121025	Enzyme-substrate interface targeting by imidazole-based Î³-secretase modulators activates Î³-secretase and stabilizes its interaction with APP.	EMBO Journal	2022
36433936	Amyloid fibril structure from the vascular variant of systemic AA amyloidosis.	Nature Communications	2022
35598043	An internal docking site stabilizes substrate binding to Î³-secretase: Analysis by molecular dynamics simulations.	Biophysical Journal	2022
36613761	The Role of Local Inflammation and Hypoxia in the Formation of Hypertrophic Scars-A New Model in the Duroc Pig.		2022
36454823	The human signal peptidase complex acts as a quality control enzyme for membrane proteins.	Science	2022
36526981	Proteomic profiling of end-stage COVID-19 lung biopsies.		2022
35298817	Rapid Rational Design of Cyclic Peptides Mimicking Protein-Protein Interfaces.	Methods in Molecular Biology	2022
34861681	Altered fibrin clot structure and dysregulated fibrinolysis contribute toÂ thrombosis risk in severe COVID-19.	Blood advances	2022
35024097	Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA.	Computational and Structural Biotechnology Journal	2022
34888724	Computational Tools for Accurate Binding Free-Energy Prediction.	Methods in Molecular Biology	2022
35013242	Cryo-EM demonstrates the in vitro proliferation of an ex vivo amyloid fibril morphology by seeding.	Nature Communications	2022
35004252	Reflex testing in non-small cell lung carcinoma using DNA- and RNA-based next-generation sequencing-a single-center experience.	Translational Lung Cancer Research	2021
33958433	Between inflammation and thrombosis: endothelial cells in COVID-19.	European Respiratory Journal	2021
33848454	Rapid Antigen Test for Postmortem Evaluation of SARS-CoV-2 Carriage.	Emerging Infectious Diseases	2021
34056776	Influence of a Ser111-phosphorylation on Rab1b GTPase conformational dynamics studied by advanced sampling simulations.	Proteins: Structure, Function and Bioinformatics	2021
33893288	Specificity of AMPylation of the human chaperone BiP is mediated by TPR motifs of FICD.	Nat Commun	2021
34101748	Mechanism of collagen folding propagation studied by Molecular Dynamics simulations.	PLoS Computational Biology	2021
33876759	Accurate modeling of DNA conformational flexibility by a multivariate Ising model.	Proceedings of the National Academy of Sciences of the United States of America	2021
33508322	Molecular mechanism of amyloidogenic mutations in hypervariable regions of antibody light chains.	Journal of Biological Chemistry	2021
33768554	Evaluation of replica exchange with repulsive scaling approach for docking glycosaminoglycans.	Journal of Computational Chemistry	2021
34310942	Molecular insights on CALX-CBD12 interdomain dynamics from MD simulations, RDCs, and SAXS.	Biophys J	2021
34352157	Molecular and Spectroscopic Characterization of Green and Red Cyanine Fluorophores from the Alexa Fluor and AF Series.	ChemPhysChem	2021
33285115	Targeting Telomeres: Molecular Dynamics and Free Energy Simulation of Gold-Carbene Binding to DNA.	Biophysical Journal	2021
34928161	Orientation Dependence of DNA Blunt-End Stacking Studied by Free-Energy Simulations.	Journal of Physical Chemistry B	2021
34795299	Mechanistic principles of an ultra-long bovine CDR reveal strategies for antibody design.	Nature Communications	2021
34845009	Structural dynamics in the evolution of a bilobed protein scaffold.	Proceedings of the National Academy of Sciences of the United States of America	2021
34843451	Binding-induced functional-domain motions in the Argonaute characterized by adaptive advanced sampling.	PLoS Computational Biology	2021
34662102	Tumuc1: A New Accurate DNA Force Field Consistent with High-Level Quantum Chemistry.	Journal of Chemical Theory and Computation	2021
34494837	Modeling Protein-Glycosaminoglycan Complexes: Does the Size Matter?	Journal of Chemical Information and Modeling	2021
32716185	CHARMM-GUI supports the Amber force fields.	Journal of Chemical Physics	2020