Manish Singla

QM/MM Methods for Biomolecular Systems

An analysis of all the relevant facts and arguments indicates that enzyme catalysis does not involve large contributions from nuclear tunneling

De Novo Enzyme Design Using Rosetta3

Femtochemistry in enzyme catalysis: DNA photolyase

In the Golden Age of Organocatalysis

Dynamical Contributions to Enzyme Catalysis:  Critical Tests of A Popular Hypothesis

Multidimensional Tunneling, Recrossing, and the Transmission Coefficient for Enzymatic Reactions

Prechemistry barriers and checkpoints do not contribute to fidelity and catalysis as long as they are not rate limiting

Quantifying Free Energy Profiles of Proton Transfer Reactions in Solution and Proteins by Using a Diabatic FDFT Mapping

Arteriovenous Access

Electrostatic Basis for Enzyme Catalysis

KDOQI Clinical Practice Guideline for Vascular Access: 2019 Update

How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations

Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems

Radio-median cubital / radiocephalic arteriovenous fistula at elbow to prevent vascular steal syndrome associated with brachiocephalic fistula: Review of 320 cases

Correlated conformational fluctuations during enzymatic catalysis: Implications for catalytic rate enhancement