M. Sahai

发表

An ab initio exploratory study on selected conformational features of MeCO-l-Ala-l-Ala-l-Ala-NH-Me as a XxxYyyZzz tripeptide motif within a protein structure

B. Penke, I. Csizmadia, M. Sahai, 2003 .

Quantifying Water-Mediated Protein–Ligand Interactions in a Glutamate Receptor: A DFT Study

Philip C. Biggin, P. Biggin, M. Sahai, 2011, The journal of physical chemistry. B.

A comparative analysis of the role of water in the binding pockets of ionotropic glutamate receptors.

P. Biggin, M. Sahai, Ranjit Vijayan, 2010, Physical chemistry chemical physics : PCCP.

Mechanistic Insights into the Stimulant Properties of Novel Psychoactive Substances (NPS) and Their Discrimination by the Dopamine Transporter—In Silico and In Vitro Exploration of Dissociative Diarylethylamines

M. Sahai, J. Opacka-Juffry, C. Davidson, 2018, Brain sciences.

Structure, Substrate Recognition, and Mechanism of the Na+-Hydantoin Membrane Transport Protein, Mhp1

S. Baldwin, S. Iwata, K. Simmons, 2018, Encyclopedia of Biophysics.

Mechanistic Insights into the Stimulant Properties of Novel Psychoactive Substances ( NPS ) and Their Discrimination by the Dopamine Transporter In Silico and In Vitro Exploration of Dissociative

M. Sahai, J. Opacka-Juffry, C. Davidson, 2018 .

Computational modeling of the N‐terminus of the human dopamine transporter and its interaction with PIP2‐containing membranes

H. Weinstein, Lei Shi, G. Khelashvili, 2015, Proteins.

The Role of Dopamine in the Stimulant Characteristics of Novel Psychoactive Substances (NPS)—Neurobiological and Computational Assessment Using the Case of Desoxypipradrol (2-DPMP)

M. A. De Luca, M. Sahai, M. D. De Luca, 2020, Frontiers in Pharmacology.

Combined in vitro and in silico approaches to the assessment of stimulant properties of novel psychoactive substances – The case of the benzofuran 5-MAPB

H. Weinstein, G. Khelashvili, M. Sahai, 2017, Progress in Neuro-Psychopharmacology and Biological Psychiatry.

Identification of a nucleoside analog active against adenosine kinase–expressing plasma cell malignancies

O. Elemento, R. Shoemaker, E. Cesarman, 2017, The Journal of clinical investigation.

Missense dopamine transporter mutations associate with adult parkinsonism and ADHD.

Thorvald F. Andreassen, H. Weinstein, H. Sitte, 2014, The Journal of clinical investigation.

Molecular mechanisms of action of stimulant novel psychoactive substances that target the high-afﬁnity transporter for dopamine

M. Sahai, J. Opacka‐Juffry, 2021 .

De novo mutation in the dopamine transporter gene associates dopamine dysfunction with autism spectrum disorder

J. Sutcliffe, E. Cook, Heinrich J.G. Matthies, 2013, Molecular Psychiatry.

Spontaneous Inward Opening of the Dopamine Transporter Is Triggered by PIP2-Regulated Dynamics of the N-Terminus

Gianni De Fabritiis, George Khelashvili, Harel Weinstein, 2015, ACS chemical neuroscience.

Quantifying the intrinsic effects of two point mutation models of proline-proline diamino acid diamide: a first-principle computational study.

E. Pai, B. Viskolcz, I. Csizmadia, 2007, The journal of physical chemistry. B.

Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database

J. Rivail, S. Lovas, A. Perczel, 2002 .

ESCRT-II/Vps25 constrains digit number by endosome-mediated selective modulation of FGF-SHH signaling.

K. Anderson, H. Weinstein, M. Depew, 2014, Cell reports.

ESCRT-II / Vps 25 Constrains D igit Number by Endosome-Mediated Selective Modulation of FGF-SHH Signaling Graphical

K. Anderson, H. Weinstein, M. Depew, 2014 .

Selenocysteine derivatives I. Sidechain conformational potential energy surface of N-acetyl-l-selenocysteine-N-methylamide (MeCO-l-Sec-NH-Me) in its βl backbone conformation

B. Viskolcz, A. Bottoni, M. Sahai, 2005 .

A model study of the IgA hinge region: an exploratory study of selected backbone conformations of MeCO-l-Pro-l-Thr-NH-Me

E. Pai, B. Penke, I. Csizmadia, 2003 .

A modular numbering system of selected oligopeptides for molecular computations: using pre-computed amino acid building blocks

S. Lovas, B. Penke, I. Csizmadia, 2003 .

The fine art of preparing membrane transport proteins for biomolecular simulations: concepts and practical considerations.

Hana Shiref, Shana Bergman, Sophie Clivio, 2020, Methods.

Molecular mechanisms of action of stimulant novel psychoactive substances that target the high-affinity transporter for dopamine

M. Sahai, J. Opacka‐Juffry, 2021, Neuronal Signaling.

First-principle computational study on the full conformational space of L-threonine diamide, the energetic stability of cis and trans isomers.

Szilard N Fejer, E. Pai, B. Viskolcz, 2006, The journal of physical chemistry. A.

An ab initio exploratory study of the full conformational space of MeCO-L-threonine-NH-Me

E. Pai, B. Penke, I. Csizmadia, 2003 .

An ab initio exploratory study on the conformational features of the dipeptide MeCO-Ala-Ala-NH-Me in its four different configurations: determination of the behaviour of D-enantiomer amino acids within a peptide chain

B. Penke, I. Csizmadia, M. Sahai, 2003 .