Michael L. Klein

According to our database, Michael L. Klein authored at least 9 papers between 2000 and 2021.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2021

Discovery of Novel Small-Molecule Inhibitors of SARS-CoV-2 Main Protease as Potential Leads for COVID-19 Treatment.

Anjela Manandhar, Vunnam Srinivasulu, Mohamad Hamad, Hamadeh Tarazi, Hany Omar, Dennis J. Colussi, John Gordon, Wayne Childers, Michael L. Klein, Taleb H. Al-Tel, Magid Abou-Gharbia, Khaled M. Elokely

J. Chem. Inf. Model., 2021

Targeting SARS-CoV-2 M3CLpro by HCV NS3/4a Inhibitors: In Silico Modeling and In Vitro Screening.

Anjela Manandhar, Benjamin E. Blass, Dennis J. Colussi, Imane Almi, Magid Abou-Gharbia, Michael L. Klein, Khaled M. Elokely

J. Chem. Inf. Model., 2021

2013

Exploring Volatile General Anesthetic Binding to a Closed Membrane-Bound Bacterial Voltage-Gated Sodium Channel via Computation.

S. G. Raju, Annika F. Barber, David N. LeBard, Michael L. Klein, Vincenzo Carnevale

PLoS Comput. Biol., 2013

2012

General Anesthetics Predicted to Block the GLIC Pore with Micromolar Affinity.

David N. LeBard, Jérôme Hénin, Roderic G. Eckenhoff, Michael L. Klein, Grace Brannigan

PLoS Comput. Biol., 2012

2008

Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.

Katrin Spiegel, Alessandra Magistrato, Patrick Maurer, Paolo Ruggerone, Ursula Rothlisberger, Paolo Carloni, Jan Reedijk, Michael L. Klein

J. Comput. Chem., 2008

2006

Ab initio calculations of intramolecular parameters for a class of arylamide polymers.

Satyavani Vemparala, Ivaylo Ivanov, Vojislava Pophristic, Katrin Spiegel, Michael L. Klein

J. Comput. Chem., 2006

A general purpose parallel molecular dynamics simulation program.

Kwang Jin Oh, Michael L. Klein

Comput. Phys. Commun., 2006

A parallel molecular dynamics simulation scheme for a molecular system with bond constraints in NPT ensemble.

Kwang Jin Oh, Michael L. Klein

Comput. Phys. Commun., 2006

2000

Molecular dynamics study of structure and gating of low molecular weight ion channels.

Dennis M. Newns, Qingfeng Zhong, Preston B. Moore, T. Husslein, Pratap Pattnaik, Michael L. Klein

Parallel Comput., 2000