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Michael L. Klein
ORCID
Publication Activity (10 Years)
Years Active: 2000-2021
Publications (10 Years): 2
Top Topics
Upper Bound
Modeling Language
Block Wise
Pairwise
Top Venues
J. Chem. Inf. Model.
PLoS Comput. Biol.
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Publications
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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
Discovery of Novel Small-Molecule Inhibitors of SARS-CoV-2 Main Protease as Potential Leads for COVID-19 Treatment.
J. Chem. Inf. Model.
61 (9) (2021)
Anjela Manandhar
,
Benjamin E. Blass
,
Dennis J. Colussi
,
Imane Almi
,
Magid Abou-Gharbia
,
Michael L. Klein
,
Khaled M. Elokely
Targeting SARS-CoV-2 M3CLpro by HCV NS3/4a Inhibitors: In Silico Modeling and In Vitro Screening.
J. Chem. Inf. Model.
61 (2) (2021)
S. G. Raju
,
Annika F. Barber
,
David N. LeBard
,
Michael L. Klein
,
Vincenzo Carnevale
Exploring Volatile General Anesthetic Binding to a Closed Membrane-Bound Bacterial Voltage-Gated Sodium Channel via Computation.
PLoS Comput. Biol.
9 (6) (2013)
David N. LeBard
,
Jérôme Hénin
,
Roderic G. Eckenhoff
,
Michael L. Klein
,
Grace Brannigan
General Anesthetics Predicted to Block the GLIC Pore with Micromolar Affinity.
PLoS Comput. Biol.
8 (5) (2012)
Katrin Spiegel
,
Alessandra Magistrato
,
Patrick Maurer
,
Paolo Ruggerone
,
Ursula Rothlisberger
,
Paolo Carloni
,
Jan Reedijk
,
Michael L. Klein
Parameterization of azole-bridged dinuclear platinum anticancer drugs via a QM/MM force matching procedure.
J. Comput. Chem.
29 (1) (2008)
Satyavani Vemparala
,
Ivaylo Ivanov
,
Vojislava Pophristic
,
Katrin Spiegel
,
Michael L. Klein
Ab initio calculations of intramolecular parameters for a class of arylamide polymers.
J. Comput. Chem.
27 (6) (2006)
Kwang Jin Oh
,
Michael L. Klein
A general purpose parallel molecular dynamics simulation program.
Comput. Phys. Commun.
174 (7) (2006)
Kwang Jin Oh
,
Michael L. Klein
A parallel molecular dynamics simulation scheme for a molecular system with bond constraints in NPT ensemble.
Comput. Phys. Commun.
174 (4) (2006)
Dennis M. Newns
,
Qingfeng Zhong
,
Preston B. Moore
,
T. Husslein
,
Pratap Pattnaik
,
Michael L. Klein
Molecular dynamics study of structure and gating of low molecular weight ion channels.
Parallel Comput.
26 (7-8) (2000)